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Depiction
Precursor
SAVSLMGBKQKUAV-UHFFFAOYSA-N
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(F)(F)F
10 steps
Depiction
Dead-End Product
OKKJLVBELUTLKV-UHFFFAOYSA-N
Methanol
CO
Depiction
Precursor
SAVSLMGBKQKUAV-UHFFFAOYSA-N
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(F)(F)F
2 steps
Depiction
Dead-End Product
BDAGIHXWWSANSR-UHFFFAOYSA-N
Formic Acid
OC=O
Depiction
Precursor
SAVSLMGBKQKUAV-UHFFFAOYSA-N
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(F)(F)F
7 steps
Depiction
Dead-End Product
BVKZGUZCCUSVTD-UHFFFAOYSA-N
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
SAVSLMGBKQKUAV-UHFFFAOYSA-N
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(F)(F)F
5 steps
Depiction
Dead-End Product
MUBZPKHOEPUJKR-UHFFFAOYSA-N
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
SAVSLMGBKQKUAV-UHFFFAOYSA-N
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(F)(F)F
10 steps
Depiction
Dead-End Product
CKFGINPQOCXMAZ-UHFFFAOYSA-N
Methanediol
C(O)O
Depiction
Precursor
SAVSLMGBKQKUAV-UHFFFAOYSA-N
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(F)(F)F
10 steps
Depiction
Dead-End Product
VNWKTOKETHGBQD-UHFFFAOYSA-N
Methane
C
Depiction
Precursor
SAVSLMGBKQKUAV-UHFFFAOYSA-N
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(F)(F)F
12 steps
Depiction
Dead-End Product
HEPCJCVNHBXRBO-UHFFFAOYSA-N
Succinyl-carboxylic acid
C(CCC(=O)C(=O)O)(=O)C(O)=O
Depiction
Precursor
SAVSLMGBKQKUAV-UHFFFAOYSA-N
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(F)(F)F
17 steps
Depiction
Dead-End Product
RBBOAWUPWQANPY-UHFFFAOYSA-N
1,2,4-Butantriol Alkohol
C(CC(C(O)O)O)O
Depiction
Precursor
SAVSLMGBKQKUAV-UHFFFAOYSA-N
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(F)(F)F
17 steps
Depiction
Dead-End Product
YPOPNBBFFROUGR-UHFFFAOYSA-N
But-1-ene-1,1,4-triol
C(CC=C(O)O)O
Depiction
Precursor
SAVSLMGBKQKUAV-UHFFFAOYSA-N
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(F)(F)F
19 steps
Depiction
Dead-End Product
LJDZFAPLPVPTBD-UHFFFAOYSA-M
CID 22568690
C([N+](=O)[O-])([O-])=O

Previewing top 10 entries. If you want the full results, please use the download button above.

Depiction
Upstream Precursor
SYFAHMXGLQWPBM-UHFFFAOYSA-N
CC(C)C(C(=O)NC(CC1=CC(=C(C=C1)O)Cl)C(=O)NC(C(C)C)C(=O)O)NC(=O…
Depth 1
Depiction
Product
SAVSLMGBKQKUAV-UHFFFAOYSA-N
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(F)(F)F
Depiction
Upstream Precursor
ZVIRGJHNKZPACQ-UHFFFAOYSA-N
CC(C)C(C(=O)NC(CC1=CC(=C(C(=C1)Cl)O)Cl)C(=O)NC(C(C)C)C(=O)O)N…
Depth 2
Depiction
Product
SAVSLMGBKQKUAV-UHFFFAOYSA-N
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(F)(F)F

Previewing top 2 entries. If you want the full results, please use the download button above.

Depiction
Precursor
SAVSLMGBKQKUAV-UHFFFAOYSA-N
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(F)(F)F
Depth 3
Depiction
Downstream Successor
QTBSBXVTEAMEQO-UHFFFAOYSA-N
Acetic Acid
CC(=O)O
Depiction
Precursor
SAVSLMGBKQKUAV-UHFFFAOYSA-N
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(F)(F)F
Depth 2
Depiction
Downstream Successor
BDAGIHXWWSANSR-UHFFFAOYSA-N
Formic Acid
OC=O
Depiction
Precursor
SAVSLMGBKQKUAV-UHFFFAOYSA-N
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(F)(F)F
Depth 3
Depiction
Downstream Successor
IQFNSSXLMQNRQZ-UHFFFAOYSA-N
2,3-Dihydroxyhexa-2,4-dienedioic acid
OC(=C(C=CC(=O)O)O)C(O)=O
Depiction
Precursor
SAVSLMGBKQKUAV-UHFFFAOYSA-N
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(F)(F)F
Depth 2
Depiction
Downstream Successor
ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
Isobutanol
OCC(C)C
Depiction
Precursor
SAVSLMGBKQKUAV-UHFFFAOYSA-N
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(F)(F)F
Depth 1
Depiction
Downstream Successor
DTQVDTLACAAQTR-UHFFFAOYSA-N
Trifluoroacetic acid
C(C(F)(F)F)(O)=O
Depiction
Precursor
SAVSLMGBKQKUAV-UHFFFAOYSA-N
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(F)(F)F
Depth 2
Depiction
Downstream Successor
OUYCCCASQSFEME-UHFFFAOYSA-N
DL-Tyrosine
NC(C(=O)O)Cc1ccc(cc1)O
Depiction
Precursor
SAVSLMGBKQKUAV-UHFFFAOYSA-N
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(F)(F)F
Depth 1
Depiction
Downstream Successor
KZSNJWFQEVHDMF-UHFFFAOYSA-N
DL-valine
NC(C(=O)O)C(C)C
Depiction
Precursor
SAVSLMGBKQKUAV-UHFFFAOYSA-N
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(F)(F)F
Depth 3
Depiction
Downstream Successor
PAFLSMZLRSPALU-UHFFFAOYSA-N
3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid
C(C(C(=O)O)O)C1=CC(O)=C(C=C1)O
Depiction
Precursor
SAVSLMGBKQKUAV-UHFFFAOYSA-N
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(F)(F)F
Depth 2
Depiction
Downstream Successor
JVGVDSSUAVXRDY-UHFFFAOYSA-N
(+-)-3-(4-Hydroxyphenyl)lactic acid
C(C(=O)O)(CC1=CC=C(C=C1)O)O
Depiction
Precursor
SAVSLMGBKQKUAV-UHFFFAOYSA-N
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(F)(F)F
Depth 1
Depiction
Downstream Successor
NGEWQZIDQIYUNV-UHFFFAOYSA-N
(+-)-2-Hydroxyisovaleric acid
OC(=O)C(C(C)C)O

Previewing top 10 entries. If you want the full results, please use the download button above.

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