Cyclosporine A acetate

[(E,1R,2R)-1-[(2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-1,7,10,16,20,23,25,26,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-2-methylhex-4-enyl] acetate

Also Known As: OACsA|Cyclosporin A Acetate|Cyclosporine A acetate|Cyclosporin A, 6-acetate|O-Acetyl C(9) cyclosporin A|O-Acetyl-C91-cyclosporin A|Sdz 33-243|Sdz-33-243|B 3-243|B3-243|[(E,1R,2R)-1-[(2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-1,7,10,16,20,23,25,26,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-2-methylhex-4-enyl] acetate|6-[(2S,3R,4R,6E)-3-(Acetyloxy)-4-methyl-2-(methylamino)-6-octenoic acid] Cyclosporin A|[(E,1R,2R)-1-[(2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-11,17,26,29-tetraisobutyl-14,32-diisopropyl-1,7,10,16,20,23,25,26,31-nonamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-2-methyl-hex-4-enyl] acetate

Molecular Formula	C64H113N11O13
Molecular Weight	1243.8519 g/mol
LogP	3.8877
Topological Polar Surface Area	293.66 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	13
Rotatable Bonds	16
Exact Mass	1243.8519
Monoisotopic Mass	1243.8519
Heavy Atoms	88
Complexity	2465.1567

Chemical Identifiers

CAS Number	83602-41-9
SMILES	CC[C@H]1C(=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@@](C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)OC(=O)C)C)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