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Depiction
Upstream Precursor
MURCDOXDAHPNRQ-ZJKZPDEISA-N
L-685,458
CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2…
Depth 1
Depiction
Product
HTWJUBAOZVNGJP-UHFFFAOYSA-N
tert-butyl N-[6-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-5-[(4-hydroxyphenyl)methyl]-6-oxo-1-phenylhexan-2-yl]carbamate
CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)C…
Depiction
Upstream Precursor
KNTOMQYDZXPHDE-UHFFFAOYSA-N
CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CC(=C(C=C2)O)…
Depth 1
Depiction
Product
HTWJUBAOZVNGJP-UHFFFAOYSA-N
tert-butyl N-[6-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-5-[(4-hydroxyphenyl)methyl]-6-oxo-1-phenylhexan-2-yl]carbamate
CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)C…

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Depiction
Precursor
HTWJUBAOZVNGJP-UHFFFAOYSA-N
tert-butyl N-[6-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-5-[(4-hydroxyphenyl)methyl]-6-oxo-1-phenylhexan-2-yl]carbamate
CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)C…
Depth 3
Depiction
Downstream Successor
QTBSBXVTEAMEQO-UHFFFAOYSA-N
Acetic Acid
CC(=O)O
Depiction
Precursor
HTWJUBAOZVNGJP-UHFFFAOYSA-N
tert-butyl N-[6-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-5-[(4-hydroxyphenyl)methyl]-6-oxo-1-phenylhexan-2-yl]carbamate
CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)C…
Depth 2
Depiction
Downstream Successor
BDAGIHXWWSANSR-UHFFFAOYSA-N
Formic Acid
OC=O
Depiction
Precursor
HTWJUBAOZVNGJP-UHFFFAOYSA-N
tert-butyl N-[6-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-5-[(4-hydroxyphenyl)methyl]-6-oxo-1-phenylhexan-2-yl]carbamate
CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)C…
Depth 2
Depiction
Downstream Successor
FJKROLUGYXJWQN-UHFFFAOYSA-N
4-Hydroxybenzoic Acid
C(=O)(C1=CC=C(O)C=C1)O
Depiction
Precursor
HTWJUBAOZVNGJP-UHFFFAOYSA-N
tert-butyl N-[6-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-5-[(4-hydroxyphenyl)methyl]-6-oxo-1-phenylhexan-2-yl]carbamate
CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)C…
Depth 2
Depiction
Downstream Successor
COLNVLDHVKWLRT-UHFFFAOYSA-N
Dl-Phenylalanine
C1=CC=CC=C1CC(C(=O)O)N
Depiction
Precursor
HTWJUBAOZVNGJP-UHFFFAOYSA-N
tert-butyl N-[6-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-5-[(4-hydroxyphenyl)methyl]-6-oxo-1-phenylhexan-2-yl]carbamate
CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)C…
Depth 1
Depiction
Downstream Successor
XKXIQBVKMABYQJ-UHFFFAOYSA-M
tert-Butyl carbonate
C(=O)(OC(C)(C)C)[O-]
Depiction
Precursor
HTWJUBAOZVNGJP-UHFFFAOYSA-N
tert-butyl N-[6-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-5-[(4-hydroxyphenyl)methyl]-6-oxo-1-phenylhexan-2-yl]carbamate
CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)C…
Depth 3
Depiction
Downstream Successor
OUYCCCASQSFEME-UHFFFAOYSA-N
DL-Tyrosine
NC(C(=O)O)Cc1ccc(cc1)O
Depiction
Precursor
HTWJUBAOZVNGJP-UHFFFAOYSA-N
tert-butyl N-[6-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-5-[(4-hydroxyphenyl)methyl]-6-oxo-1-phenylhexan-2-yl]carbamate
CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)C…
Depth 2
Depiction
Downstream Successor
ROHFNLRQFUQHCH-UHFFFAOYSA-N
DL-leucine
OC(=O)C(CC(C)C)N
Depiction
Precursor
HTWJUBAOZVNGJP-UHFFFAOYSA-N
tert-butyl N-[6-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-5-[(4-hydroxyphenyl)methyl]-6-oxo-1-phenylhexan-2-yl]carbamate
CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)C…
Depth 3
Depiction
Downstream Successor
KJOVGYUGXHIVAY-UHFFFAOYSA-N
Buta-1,3-diene-1,2,4-tricarboxylic acid
OC(=O)C(=CC(O)=O)C=CC(O)=O
Depiction
Precursor
HTWJUBAOZVNGJP-UHFFFAOYSA-N
tert-butyl N-[6-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-5-[(4-hydroxyphenyl)methyl]-6-oxo-1-phenylhexan-2-yl]carbamate
CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)C…
Depth 3
Depiction
Downstream Successor
QGNLHMKIGMZKJX-UHFFFAOYSA-N
3-Chloro-4-hydroxybenzoic acid
OC1=C(C=C(C=C1)C(=O)O)Cl
Depiction
Precursor
HTWJUBAOZVNGJP-UHFFFAOYSA-N
tert-butyl N-[6-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-5-[(4-hydroxyphenyl)methyl]-6-oxo-1-phenylhexan-2-yl]carbamate
CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)C…
Depth 3
Depiction
Downstream Successor
VOXXWSYKYCBWHO-UHFFFAOYSA-N
(+-)-3-Phenyllactic acid
C1=CC=C(C=C1)CC(C(=O)O)O

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No Original Precursors

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No Dead-Ends

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