[(13S,16S,17S)-16-[3-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]propyl]-13-methyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate

Systemtic Name: [(13S,16S,17S)-16-[3-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]propyl]-13-methyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate Openeye Name: [(13S,16S,17S)-16-[3-[[(2S)-2-acetamido-3-(4-benzyloxyphenyl)propanoyl]amino]propyl]-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate CAS Name: sulfamic acid [(13S,16S,17S)-16-[3-[[(2S)-2-acetamido-1-oxo-3-(4-phenylmethoxyphenyl)propyl]amino]propyl]-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(13S,16S,17S)-16-[3-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]propyl]-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate Traditional Name: sulfamic acid [(13S,16S,17S)-16-[3-[[(2S)-2-acetamido-3-(4-benzoxyphenyl)propanoyl]amino]propyl]-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C39H49N3O7S MolecularWeight: 703.88726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NCCCC3CC4C5CCC6=C(C5CCC4(C3O)C)C=CC(=C6)OS(=O)(=O)N

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NCCC[C@H]3CC4C5CCC6=C(C5CC[C@@]4([C@H]3O)C)C=CC(=C6)OS(=O)(=O)N

InChI

InChI=1S/C39H49N3O7S/c1-25(43)42-36(21-26-10-13-30(14-11-26)48-24-27-7-4-3-5-8-27)38(45)41-20-6-9-29-23-35-34-16-12-28-22-31(49-50(40,46)47)15-17-32(28)33(34)18-19-39(35,2)37(29)44/h3-5,7-8,10-11,13-15,17,22,29,33-37,44H,6,9,12,16,18-21,23-24H2,1-2H3,(H,41,45)(H,42,43)(H2,40,46,47)/t29-,33?,34?,35?,36-,37-,39-/m0/s1