Surfactin peptide

3-[(9S,12S,15R,18S,21R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid

Also Known As: Surfactin|surfactin peptide|surfactin C|RefChem:186823|AC1L230P|3-[(9S,12S,15R,18S,21R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid

Molecular Formula	C53H93N7O13
Molecular Weight	1035.6831 g/mol
LogP	5.04
Topological Polar Surface Area	304.6 Ų
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	11
Rotatable Bonds	24
Exact Mass	1035.6831
Heavy Atoms	73
Complexity	1803.6

Chemical Identifiers

CAS Number	24730-31-2
SMILES	CC(C)CCCCCCCCCC1CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)NC(C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O