(2S,3S)-2-(2-amino-3-phenyl-butyrylamino)-thiazole-4-carboxylic acid methyl ester

HCID 86603390

Basic information

Standard SMILES
COC(=O)c1csc(NC(=O)[C@@H](N)[C@@H](C)c2ccccc2)n1
InChIKey
OZXOJWTUUMJUTG-CABZTGNLSA-N
Molecular formula
C15H17N3O3S
Average molar mass
319.4 g/mol

Names & identifiers

Preferred name
(2S,3S)-2-(2-amino-3-phenyl-butyrylamino)-thiazole-4-carboxylic acid methyl ester
IUPAC
methyl 2-[[(2S,3S)-2-amino-3-phenylbutanoyl]amino]-1,3-thiazole-4-carboxylate

Names & synonyms

SCHEMBL4684418OZXOJWTUUMJUTG-CABZTGNLSA-N(2S,3S)-2-(2-amino-3-phenyl-butyrylamino)-thiazole-4-carboxylic acid methyl ester2-((2S,3S)-2-amino-3-phenyl-butyrylamino)-thiazole-4-carboxylic acid methyl ester

Database identifiers

PubChem CID
86603390

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
123 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
22

Related reactions

4 records

Linked notes

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