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Depiction
Upstream Precursor
MRXDGVXSWIXTQL-UHFFFAOYSA-N
L-2-(2-Amino-1,4,5,6-tetrahydro-4-pyrimidinyl)-N-(((alpha-carboxyphenethyl)amino)carbonyl)glycyl-N-(alpha-formylphenethyl)-L-leucinamide, stereoisomer
CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C=O)NC(=O)C(C2CCN=C(N2)N)NC(=O)N…
Depth 1
Depiction
Product
MNHUFUWSOBLOCE-UHFFFAOYSA-N
2-[[2-[[2-(2-Amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[(1-carboxy-2-phenylethyl)carbamoylamino]acetyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(C2CCN=C(N2)N)NC(=…

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Depiction
Precursor
MNHUFUWSOBLOCE-UHFFFAOYSA-N
2-[[2-[[2-(2-Amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[(1-carboxy-2-phenylethyl)carbamoylamino]acetyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(C2CCN=C(N2)N)NC(=…
Depth 2
Depiction
Downstream Successor
KXDHJXZQYSOELW-UHFFFAOYSA-N
Carbamic Acid
OC(=O)N
Depiction
Precursor
MNHUFUWSOBLOCE-UHFFFAOYSA-N
2-[[2-[[2-(2-Amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[(1-carboxy-2-phenylethyl)carbamoylamino]acetyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(C2CCN=C(N2)N)NC(=…
Depth 1
Depiction
Downstream Successor
COLNVLDHVKWLRT-UHFFFAOYSA-N
Dl-Phenylalanine
C1=CC=CC=C1CC(C(=O)O)N
Depiction
Precursor
MNHUFUWSOBLOCE-UHFFFAOYSA-N
2-[[2-[[2-(2-Amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[(1-carboxy-2-phenylethyl)carbamoylamino]acetyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(C2CCN=C(N2)N)NC(=…
Depth 2
Depiction
Downstream Successor
OUYCCCASQSFEME-UHFFFAOYSA-N
DL-Tyrosine
NC(C(=O)O)Cc1ccc(cc1)O
Depiction
Precursor
MNHUFUWSOBLOCE-UHFFFAOYSA-N
2-[[2-[[2-(2-Amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[(1-carboxy-2-phenylethyl)carbamoylamino]acetyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(C2CCN=C(N2)N)NC(=…
Depth 2
Depiction
Downstream Successor
ROHFNLRQFUQHCH-UHFFFAOYSA-N
DL-leucine
OC(=O)C(CC(C)C)N
Depiction
Precursor
MNHUFUWSOBLOCE-UHFFFAOYSA-N
2-[[2-[[2-(2-Amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[(1-carboxy-2-phenylethyl)carbamoylamino]acetyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(C2CCN=C(N2)N)NC(=…
Depth 1
Depiction
Downstream Successor
VOXXWSYKYCBWHO-UHFFFAOYSA-N
(+-)-3-Phenyllactic acid
C1=CC=C(C=C1)CC(C(=O)O)O
Depiction
Precursor
MNHUFUWSOBLOCE-UHFFFAOYSA-N
2-[[2-[[2-(2-Amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[(1-carboxy-2-phenylethyl)carbamoylamino]acetyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(C2CCN=C(N2)N)NC(=…
Depth 2
Depiction
Downstream Successor
LVRFTAZAXQPQHI-UHFFFAOYSA-N
(+-)-2-Hydroxyisocaproic acid
OC(=O)C(CC(C)C)O
Depiction
Precursor
MNHUFUWSOBLOCE-UHFFFAOYSA-N
2-[[2-[[2-(2-Amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[(1-carboxy-2-phenylethyl)carbamoylamino]acetyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(C2CCN=C(N2)N)NC(=…
Depth 2
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
MNHUFUWSOBLOCE-UHFFFAOYSA-N
2-[[2-[[2-(2-Amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[(1-carboxy-2-phenylethyl)carbamoylamino]acetyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(C2CCN=C(N2)N)NC(=…
Depth 2
Depiction
Downstream Successor
WRMNZCZEMHIOCP-UHFFFAOYSA-N
2-Phenylethanol
c1ccccc1CCO
Depiction
Precursor
MNHUFUWSOBLOCE-UHFFFAOYSA-N
2-[[2-[[2-(2-Amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[(1-carboxy-2-phenylethyl)carbamoylamino]acetyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(C2CCN=C(N2)N)NC(=…
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
MNHUFUWSOBLOCE-UHFFFAOYSA-N
2-[[2-[[2-(2-Amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[(1-carboxy-2-phenylethyl)carbamoylamino]acetyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(C2CCN=C(N2)N)NC(=…
Depth 2
Depiction
Downstream Successor
FORGMRSGVSYZQR-UHFFFAOYSA-N
Pentanamide, 2-amino-4-methyl-
NC(CC(C)C)C(=O)N

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