(Q82990763)

English

2-Amino-N-{2-[(2-{[N-(1-chloro-5-methyl-2-oxohexan-3-yl)phenylalanyl]imino}-2-hydroxyethyl)imino]-2-hydroxyethyl}-3-(4-hydroxyphenyl)propanimidic acid

group of stereoisomers with the chemical formula C₂₉H₃₈ClN₅O₆

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

587.2510616160001 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₈ClN₅O₆

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based on heuristic

inferred from SMILES

canonical SMILES

CC(C)CC(NC(Cc1ccccc1)C(=O)N=C(O)CN=C(O)CN=C(O)C(N)Cc1ccc(O)cc1)C(=O)CCl

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(C)CC(N[C@@H](Cc1ccccc1)C(=O)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)CCl

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C29H38ClN5O6/c1-18(2)12-23(25(37)15-30)34-24(14-19-6-4-3-5-7-19)29(41)35-27(39)17-32-26(38)16-33-28(40)22(31)13-20-8-10-21(36)11-9-20/h3-11,18,22-24,34,36H,12-17,31H2,1-2H3,(H,32,38)(H,33,40)(H,35,39,41)/t22-,23?,24-/m0/s1

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InChIKey

DHUBMNZFMGJNCY-OTKIHZFJSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID001425231

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(Q82990763)

2-Amino-N-{2-[(2-{[N-(1-chloro-5-methyl-2-oxohexan-3-yl)phenylalanyl]imino}-2-hydroxyethyl)imino]-2-hydroxyethyl}-3-(4-hydroxyphenyl)propanimidic acid

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