Gramicidin S

(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

CAS: 113-73-5

Molecular Formula	`C60H92N12O10`
Molecular Weight	1141.4 g/mol
LogP	4.6
Topological Polar Surface Area	325.0 A2
Hydrogen Bond Donors	10
Hydrogen Bond Acceptors	12
Rotatable Bonds	16
Exact Mass	1140.7059
Heavy Atoms	82
Complexity	2020.0

Chemical Identifiers

CAS Number	113-73-5
SMILES	`CC(C)CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)NC(C(=O)NC(C(=O)N1)CCCN)C(C)C)CC4=CC=CC=C4)CC(C)C)CCCN)C(C)C)CC5=CC=CC=C5`
InChIKey	`IUAYMJGZBVDSGL-XNNAEKOYSA-N`

📖 Product Overview

Gramicidin S (CAS: 113-73-5) is a chemical compound with molecular formula C60H92N12O10 and molecular weight 1141.4 g/mol. Its IUPAC systematic name is (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. LogP 4.6 Topological Polar Surface Area 325.0 A2 Hydrogen Bond Donors 10 Hydrogen Bond Acceptors 12 Rotatable Bonds 16 Exact Mass 1140.7059 Heavy Atoms 82 Complexity 2020.0 InChI Key: IUAYMJGZBVDSGL-XNNAEKOYSA-N. SMILES: CC(C)CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)NC(C(=O)NC(C(=O)N1)CCCN)C(C)C)CC4=CC=CC=C4)CC(C)C)CCCN)C(C)C)CC5=CC=CC=C5.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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