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

Details

Stereochemistry ABSOLUTE
Molecular Formula C35H55N9O11.ClH
Molecular Weight 814.326
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIACETYLSPLENOPENTIN HYDROCHLORIDE

SMILES

Cl.CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O

InChI

InChIKey=MAZFTYVMQDNCCO-WRRQFKQISA-N
InChI=1S/C35H55N9O11.ClH/c1-19(2)29(33(53)43-27(34(54)55)18-22-10-12-23(47)13-11-22)44-32(52)26(14-15-28(48)49)42-31(51)25(8-5-6-16-38-20(3)45)41-30(50)24(40-21(4)46)9-7-17-39-35(36)37;/h10-13,19,24-27,29,47H,5-9,14-18H2,1-4H3,(H,38,45)(H,40,46)(H,41,50)(H,42,51)(H,43,53)(H,44,52)(H,48,49)(H,54,55)(H4,36,37,39);1H/t24-,25-,26-,27-,29-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DIACETYLSPLENOPENTIN HYDROCHLORIDE
Common Name English
BERLOPENTIN HYDROCHLORIDE
Common Name English
L-TYROSINE, N-(N-(N-(N6-ACETYL-N2-(N2-ACETYL-L-ARGINYL)-L-LYSYL)-L-.ALPHA.-GLUTAMYL)-L-VALYL)-, MONOHYDROCHLORIDE
Systematic Name English
Code System Code Type Description
CAS
122402-38-4
Created by admin on Sat Dec 16 08:37:50 GMT 2023 , Edited by admin on Sat Dec 16 08:37:50 GMT 2023
PRIMARY
PUBCHEM
92135904
Created by admin on Sat Dec 16 08:37:50 GMT 2023 , Edited by admin on Sat Dec 16 08:37:50 GMT 2023
PRIMARY
CAS
138505-69-8
Created by admin on Sat Dec 16 08:37:50 GMT 2023 , Edited by admin on Sat Dec 16 08:37:50 GMT 2023
SUPERSEDED
CAS
125597-41-3
Created by admin on Sat Dec 16 08:37:50 GMT 2023 , Edited by admin on Sat Dec 16 08:37:50 GMT 2023
SUPERSEDED
FDA UNII
KJM4ORS58D
Created by admin on Sat Dec 16 08:37:50 GMT 2023 , Edited by admin on Sat Dec 16 08:37:50 GMT 2023
PRIMARY