U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H26N2O5
Molecular Weight 446.495
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-PHENYL-N-(3-PHENYL-N-((PHENYLMETHOXY)CARBONYL)-L-ALANYL)-L-ALANINE

SMILES

OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChIKey=JNRHNGGTJOBXHL-GOTSBHOMSA-N
InChI=1S/C26H26N2O5/c29-24(27-23(25(30)31)17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)28-26(32)33-18-21-14-8-3-9-15-21/h1-15,22-23H,16-18H2,(H,27,29)(H,28,32)(H,30,31)/t22-,23-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3-PHENYL-N-(3-PHENYL-N-((PHENYLMETHOXY)CARBONYL)-L-ALANYL)-L-ALANINE
Preferred Name English
Code System Code Type Description
FDA UNII
Q3HUG35MZD
Created by admin on Tue Apr 01 18:49:31 GMT 2025 , Edited by admin on Tue Apr 01 18:49:31 GMT 2025
PRIMARY
ECHA (EC/EINECS)
236-051-2
Created by admin on Tue Apr 01 18:49:31 GMT 2025 , Edited by admin on Tue Apr 01 18:49:31 GMT 2025
PRIMARY
EPA CompTox
DTXSID10156961
Created by admin on Tue Apr 01 18:49:31 GMT 2025 , Edited by admin on Tue Apr 01 18:49:31 GMT 2025
PRIMARY
CAS
13122-91-3
Created by admin on Tue Apr 01 18:49:31 GMT 2025 , Edited by admin on Tue Apr 01 18:49:31 GMT 2025
PRIMARY
PUBCHEM
114619
Created by admin on Tue Apr 01 18:49:31 GMT 2025 , Edited by admin on Tue Apr 01 18:49:31 GMT 2025
PRIMARY