CAS 959574-95-9

(3S)-3-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-3,4-dihydro-4-oxo-1,5-benzoxazepine-5(2H)-acetic acid

Description:

The chemical substance known as (3S)-3-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-3,4-dihydro-4-oxo-1,5-benzoxazepine-5(2H)-acetic acid, with the CAS number 959574-95-9, is a complex organic compound characterized by its unique structural features. It contains a benzoxazepine core, which is a bicyclic structure that incorporates both benzene and oxazepine rings, contributing to its potential biological activity. The presence of a fluorenylmethoxycarbonyl (Fmoc) group indicates that this compound may be used in peptide synthesis as a protecting group for amino acids. The compound also features an acetic acid moiety, which may influence its solubility and reactivity. Its stereochemistry is defined by the (3S) configuration, suggesting specific spatial arrangements that can affect its interaction with biological targets. Overall, this compound may have applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its structural complexity and potential for biological activity.

Formula: C₂₆H₂₂N₂O₆

InChI: InChI=1S/C26H22N2O6/c29-24(30)13-28-22-11-5-6-12-23(22)33-15-21(25(28)31)27-26(32)34-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-12,20-21H,13-15H2,(H,27,32)(H,29,30)/t21-/m0/s1

InChI key: InChIKey=MGCGNHLLVHXTIS-NRFANRHFSA-N

SMILES: C(OC(N[C@@H]1C(=O)N(CC(O)=O)C=2C(OC1)=CC=CC2)=O)C3C=4C(C=5C3=CC=CC5)=CC=CC4

Synonyms:

• 1,5-Benzoxazepine-5(2H)-acetic acid, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3,4-dihydro-4-oxo-, (3S)-
• (3S)-3-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-3,4-dihydro-4-oxo-1,5-benzoxazepine-5(2H)-acetic acid