Compound Q&A
What is (2S,5R,6R)-6-{[(2R)-2-[(2,2-Dimethylpropanoyl)amino]-2-(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CAS: 1313237-94-3)?
Answer
![(2S,5R,6R)-6-{[(2R)-2-[(2,2-Dimethylpropanoyl)amino]-2-(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid](https://static.chemtradehub.com/structs/131/1313237-94-3-b21b.webp "(2S,5R,6R)-6-{[(2R)-2-[(2,2-Dimethylpropanoyl)amino]-2-(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid")
This compound is a chemical entity with a complex structure, characterized by a thia-azabicyclic ring system and a carboxylic acid group. It is commonly referred to as a 2,2-Dimethylpropanoyl-aminobenzyl-acetyl derivative of 6-aminocaproic acid. It is used in pharmaceuticals for its potential therapeutic benefits.
About
CAS No
1313237-94-3
English Name
(2S,5R,6R)-6-{[(2R)-2-[(2,2-Dimethylpropanoyl)amino]-2-(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Formula
C21H27N3O6S
Molecular Weight
449.53 g/mol
SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)NC(=O)C(C)(C)C)C(=O)O)C
InChIKey
SEPXWAZZCPMULA-VWPFQQQWSA-N
Last Updated: 2026-03-09 18:34