(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-3-[(3-methoxy-2-methyl-4-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenylsulfanyl-butyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-3-[(3-methoxy-2-methyl-4-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenylsulfanyl-butyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(4-hydroxy-3-methoxy-2-methyl-benzoyl)amino]-4-phenylsulfanyl-butyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide CAS Name: (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[[(4-hydroxy-3-methoxy-2-methylphenyl)-oxomethyl]amino]-4-(phenylthio)butyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(4-hydroxy-3-methoxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(4-hydroxy-3-methoxy-2-methyl-benzoyl)amino]-4-(phenylthio)butyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide Formula: C33H47N3O5S MolecularWeight: 597.80838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)O)C(=O)NC(CSC2=CC=CC=C2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O

Isomeric SMILES

CC1=C(C=CC(=C1OC)O)C(=O)N[C@@H](CSC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O

InChI

InChI=1S/C33H47N3O5S/c1-21-25(15-16-28(37)30(21)41-5)31(39)34-26(20-42-24-13-7-6-8-14-24)29(38)19-36-18-23-12-10-9-11-22(23)17-27(36)32(40)35-33(2,3)4/h6-8,13-16,22-23,26-27,29,37-38H,9-12,17-20H2,1-5H3,(H,34,39)(H,35,40)/t22-,23+,26-,27-,29+/m0/s1