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

Details

Stereochemistry ABSOLUTE
Molecular Formula C31H47N9O8
Molecular Weight 673.7604
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IRI-426

SMILES

CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC2=CC=CC=C2)C(N)=O

InChI

InChIKey=CBRZLECMSULEQH-AQBORDMYSA-N
InChI=1S/C31H47N9O8/c1-17(2)25(29(47)37-21(26(32)44)15-19-9-5-4-6-10-19)39-27(45)22(16-24(42)43)38-28(46)23-12-8-14-40(23)30(48)20(36-18(3)41)11-7-13-35-31(33)34/h4-6,9-10,17,20-23,25H,7-8,11-16H2,1-3H3,(H2,32,44)(H,36,41)(H,37,47)(H,38,46)(H,39,45)(H,42,43)(H4,33,34,35)/t20-,21-,22-,23-,25-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
AC-ARG-PRO-ASP-VAL-PHE-NH2
Preferred Name English
IRI-426
Code English
L-PHENYLALANINAMIDE, N2-ACETYL-L-ARGINYL-L-PROLYL-L-.ALPHA.-ASPARTYL-L-VALYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
10462672
Created by admin on Mon Mar 31 18:05:07 GMT 2025 , Edited by admin on Mon Mar 31 18:05:07 GMT 2025
PRIMARY
FDA UNII
SEG3J6F5US
Created by admin on Mon Mar 31 18:05:07 GMT 2025 , Edited by admin on Mon Mar 31 18:05:07 GMT 2025
PRIMARY
CAS
103143-78-8
Created by admin on Mon Mar 31 18:05:07 GMT 2025 , Edited by admin on Mon Mar 31 18:05:07 GMT 2025
PRIMARY