[17-(2-butanoylsulfanylethanoyl)-9-fluoranyl-2-formamido-10,13,16-trimethyl-4-methylsulfanyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate

Systemtic Name: [17-(2-butanoylsulfanylethanoyl)-9-fluoranyl-2-formamido-10,13,16-trimethyl-4-methylsulfanyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate Openeye Name: [17-(2-butanoylsulfanylacetyl)-9-fluoro-2-formamido-11-hydroxy-10,13,16-trimethyl-4-methylsulfanyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate CAS Name: pentanoic acid [9-fluoro-2-formamido-11-hydroxy-10,13,16-trimethyl-4-(methylthio)-3-oxo-17-[1-oxo-2-(1-oxobutylthio)ethyl]-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [17-(2-butanoylsulfanylacetyl)-9-fluoro-2-formamido-11-hydroxy-10,13,16-trimethyl-4-methylsulfanyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate Traditional Name: valeric acid [17-[2-(butyrylthio)acetyl]-9-fluoro-2-formamido-11-hydroxy-3-keto-10,13,16-trimethyl-4-(methylthio)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C33H46FNO7S2 MolecularWeight: 651.849243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=C(C(=O)C(=CC43C)NC=O)SC)F)O)C)C)C(=O)CSC(=O)CCC

Isomeric SMILES

CCCCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=C(C(=O)C(=CC43C)NC=O)SC)F)O)C)C)C(=O)CSC(=O)CCC

InChI

InChI=1S/C33H46FNO7S2/c1-7-9-11-26(39)42-33(25(38)17-44-27(40)10-8-2)19(3)14-22-20-12-13-21-29(43-6)28(41)23(35-18-36)15-30(21,4)32(20,34)24(37)16-31(22,33)5/h15,18-20,22,24,37H,7-14,16-17H2,1-6H3,(H,35,36)