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

Details

Stereochemistry ABSOLUTE
Molecular Formula C56H79N13O12.5ClH
Molecular Weight 1308.611
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DELPARANTAG PENTAHYDROCHLORIDE

SMILES

Cl.Cl.Cl.Cl.Cl.COC1=C(C=C(NC(=O)[C@H](CCCCN)NC(=O)C2=C(OC)C=CC(NC(=O)[C@H](CCCCN)NC(=O)C3=C(OC)C=CC(NC(=O)[C@H](CCCCN)NC(=O)C4=C(OC)C=CC(NC(=O)[C@@H](N)CCCCN)=C4)=C3)=C2)C=C1)C(N)=O

InChI

InChIKey=UTMBEAYHQCZLHT-OEGPGOKOSA-N
InChI=1S/C56H79N13O12.5ClH/c1-78-45-21-17-33(29-37(45)49(62)70)64-54(75)42(14-6-10-26-58)67-51(72)39-31-35(19-23-47(39)80-3)66-56(77)44(16-8-12-28-60)69-52(73)40-32-36(20-24-48(40)81-4)65-55(76)43(15-7-11-27-59)68-50(71)38-30-34(18-22-46(38)79-2)63-53(74)41(61)13-5-9-25-57;;;;;/h17-24,29-32,41-44H,5-16,25-28,57-61H2,1-4H3,(H2,62,70)(H,63,74)(H,64,75)(H,65,76)(H,66,77)(H,67,72)(H,68,71)(H,69,73);5*1H/t41-,42-,43-,44-;;;;;/m0...../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DELPARANTAG PENTAHYDROCHLORIDE
USAN   WHO-DD  
USAN  
Official Name English
PMX-60056 PENTAHYDROCHLORIDE
Code English
Delparantag pentahydrochloride [WHO-DD]
Common Name English
L-LYSINAMIDE, L-LYSYL-5-AMINO-2-METHOXYBENZOYL-L-LYSYL-5-AMINO-2-METHOXYBENZOYL-L-LYSYL-5-AMINO-2-METHOXYBENZOYL-N-(3-(AMINOCARBONYL)-4-METHOXYPHENYL)-, HYDROCHLORIDE (1:5)
Common Name English
DELPARANTAG PENTAHYDROCHLORIDE [USAN]
Common Name English
Code System Code Type Description
FDA UNII
33T0RM4BF6
Created by admin on Fri Dec 15 17:48:17 UTC 2023 , Edited by admin on Fri Dec 15 17:48:17 UTC 2023
PRIMARY
NCI_THESAURUS
C166636
Created by admin on Fri Dec 15 17:48:17 UTC 2023 , Edited by admin on Fri Dec 15 17:48:17 UTC 2023
PRIMARY
PUBCHEM
70689365
Created by admin on Fri Dec 15 17:48:17 UTC 2023 , Edited by admin on Fri Dec 15 17:48:17 UTC 2023
PRIMARY
EPA CompTox
DTXSID20156154
Created by admin on Fri Dec 15 17:48:17 UTC 2023 , Edited by admin on Fri Dec 15 17:48:17 UTC 2023
PRIMARY
USAN
ZZ-15
Created by admin on Fri Dec 15 17:48:17 UTC 2023 , Edited by admin on Fri Dec 15 17:48:17 UTC 2023
PRIMARY
ChEMBL
CHEMBL2107820
Created by admin on Fri Dec 15 17:48:17 UTC 2023 , Edited by admin on Fri Dec 15 17:48:17 UTC 2023
PRIMARY
CAS
1294448-66-0
Created by admin on Fri Dec 15 17:48:17 UTC 2023 , Edited by admin on Fri Dec 15 17:48:17 UTC 2023
PRIMARY