Gramicidin S dihydrochloride

(3R,6S,9S,12S,15S,21R,24S,27S,30S,33S)-9,27-bis(3-aminopropyl)-3,21-dibenzyl-6,24-bis(2-methylpropyl)-12,30-di(propan-2-yl)-1,4,7,10,13,19,22,25,28,31-decazatricyclo[31.3.0.015,19]hexatriacontane-2,5,8,11,14,20,23,26,29,32-decone;dihydrochloride

Also Known As: Gramicidin S dihydrochloride|Gramicidin S hydrochloride|Gramicidin S 2HCl|Gramicidin S, dihydrochloride|Gramicidin S hydrochloride (JAN)|GRAMICIDIN S HYDROCHLORIDE [JAN]|GRAMICIDIN S HYDROCHLORIDE [WHO-DD]|GRAMICIDIN S, HYDROCHLORIDE (1:2)|(3R,6S,9S,12S,15S,21R,24S,27S,30S,33S)-9,27-bis(3-aminopropyl)-3,21-dibenzyl-6,24-bis(2-methylpropyl)-12,30-di(propan-2-yl)-1,4,7,10,13,19,22,25,28,31-decazatricyclo[31.3.0.015,19]hexatriacontane-2,5,8,11,14,20,23,26,29,32-decone;dihydrochloride|3-[(3R,6S,9S,12S,15S,21R,24S,27S,30S,33S)-27-(3-Azaniumylpropyl)-3,21-dibenzyl-6,24-bis(2-methylpropyl)-2,5,8,11,14,20,23,26,29,32-decaoxo-12,30-di(propan-2-yl)-1,4,7,10,13,19,22,25,28,31-decazatricyclo[31.3.0.015,19]hexatriacontan-9-yl]propylazanium;dichloride|cyclo(l-leucyl-d-phenylalanyl-l-prolyl-l-valyl-l-ornithyl-l-leucyl-d-phenylalanyl-l-prolyl-l-valyl-l-ornithyl) dihydrochloride|Cyclo(L-leucyl-D-phenylalanyl-L-prolyl-L-valyl-L-ornithyl-L-leucyl-D-phenylalanyl-L-prolyl-L-valyl-L-ornithyl)--hydrogen chloride (1/2)

Molecular Formula	C60H94Cl2N12O10
Molecular Weight	1212.6593 g/mol
LogP	2.0714
Topological Polar Surface Area	325.0 Ų
Hydrogen Bond Donors	12
Hydrogen Bond Acceptors	12
Rotatable Bonds	16
Exact Mass	1212.6593
Monoisotopic Mass	1212.6593
Heavy Atoms	84
Complexity	2020.0

Chemical Identifiers

CAS Number	183-88-0
SMILES	CC(C)C[C@H]1C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCN)C(C)C)CC4=CC=CC=C4)CC(C)C)CCCN)C(C)C)CC5=CC=CC=C5.Cl.Cl
InChIKey	KCUAVDXLFXNGDG-MZFDKZDRSA-N