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

Details

Stereochemistry ABSOLUTE
Molecular Formula C60H92N12O10.2ClH
Molecular Weight 1214.369
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GRAMICIDIN S HYDROCHLORIDE

SMILES

Cl.Cl.[H][C@@]12CCCN1C(=O)[C@@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC(=O)[C@]4([H])CCCN4C(=O)[C@@H](CC5=CC=CC=C5)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC2=O)C(C)C)C(C)C

InChI

InChIKey=KCUAVDXLFXNGDG-MZFDKZDRSA-N
InChI=1S/C60H92N12O10.2ClH/c1-35(2)31-43-53(75)67-45(33-39-19-11-9-12-20-39)59(81)71-29-17-25-47(71)55(77)70-50(38(7)8)58(80)64-42(24-16-28-62)52(74)66-44(32-36(3)4)54(76)68-46(34-40-21-13-10-14-22-40)60(82)72-30-18-26-48(72)56(78)69-49(37(5)6)57(79)63-41(23-15-27-61)51(73)65-43;;/h9-14,19-22,35-38,41-50H,15-18,23-34,61-62H2,1-8H3,(H,63,79)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,78)(H,70,77);2*1H/t41-,42-,43-,44-,45+,46+,47-,48-,49-,50-;;/m0../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
GRAMICIDIN S HYDROCHLORIDE
WHO-DD  
Common Name English
GRAMICIDIN S DIHYDROCHLORIDE
Common Name English
Gramicidin S hydrochloride [WHO-DD]
Common Name English
GRAMICIDIN S, HYDROCHLORIDE (1:2)
Common Name English
GRAMICIDIN S HYDROCHLORIDE [JAN]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID80164952
Created by admin on Sat Dec 16 01:37:44 GMT 2023 , Edited by admin on Sat Dec 16 01:37:44 GMT 2023
PRIMARY
EVMPD
SUB02404MIG
Created by admin on Sat Dec 16 01:37:44 GMT 2023 , Edited by admin on Sat Dec 16 01:37:44 GMT 2023
ALTERNATIVE
PUBCHEM
167261
Created by admin on Sat Dec 16 01:37:44 GMT 2023 , Edited by admin on Sat Dec 16 01:37:44 GMT 2023
PRIMARY
FDA UNII
A9H4RB7OLM
Created by admin on Sat Dec 16 01:37:44 GMT 2023 , Edited by admin on Sat Dec 16 01:37:44 GMT 2023
PRIMARY
CAS
57572-76-6
Created by admin on Sat Dec 16 01:37:44 GMT 2023 , Edited by admin on Sat Dec 16 01:37:44 GMT 2023
NON-SPECIFIC STOICHIOMETRY
EVMPD
SUB33654
Created by admin on Sat Dec 16 01:37:44 GMT 2023 , Edited by admin on Sat Dec 16 01:37:44 GMT 2023
PRIMARY
CAS
15207-30-4
Created by admin on Sat Dec 16 01:37:44 GMT 2023 , Edited by admin on Sat Dec 16 01:37:44 GMT 2023
PRIMARY