Antibiotic S 7481F2

(3S,6S,9S,12S,15R,18S,21S,24S,30S,33R)-33-[(E)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28,30-decamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

Also Known As: Cyclosporin B|Ala2-cyclosporine|Antibioitc S 7481F2|Antibiotic S 7481F2|C043|(3S,6S,9S,12S,15R,18S,21S,24S,30S,33R)-33-[(E)-1-hydroxy-2-methyl-hex-4-enyl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28,30-decamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone|(3S,6S,9S,12S,15R,18S,21S,24S,30S,33R)-33-[(E)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28,30-decamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

Molecular Formula	C61H109N11O12
Molecular Weight	1187.8257 g/mol
LogP	2.8789
Topological Polar Surface Area	278.8 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	12
Rotatable Bonds	14
Exact Mass	1187.8257
Monoisotopic Mass	1187.8257
Heavy Atoms	84
Complexity	2307.1519

Chemical Identifiers

CAS Number	63775-95-1
SMILES	C/C=C/CC(C)C([C@@H]1C(=O)N[C@H](C(=O)N(CC(=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)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)C)O