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

Systemtic Name: (3S,4aS,8aS)-2-[(2S,3S)-3-[[3,5-bis(azanyl)-2-methyl-phenyl]carbonylamino]-2-oxidanyl-4-phenyl-butyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S,4aS,8aS)-N-tert-butyl-2-[(2S,3S)-3-[(3,5-diamino-2-methyl-benzoyl)amino]-2-hydroxy-4-phenyl-butyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide CAS Name: (3S,4aS,8aS)-N-tert-butyl-2-[(2S,3S)-3-[[(3,5-diamino-2-methylphenyl)-oxomethyl]amino]-2-hydroxy-4-phenylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S,4aS,8aS)-N-tert-butyl-2-[(2S,3S)-3-[(3,5-diamino-2-methylbenzoyl)amino]-2-hydroxy-4-phenylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S,4aS,8aS)-N-tert-butyl-2-[(2S,3S)-3-[(3,5-diamino-2-methyl-benzoyl)amino]-2-hydroxy-4-phenyl-butyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide Formula: C32H47N5O3 MolecularWeight: 549.74728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)NC(CC2=CC=CC=C2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O)N)N

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)N[C@@H](CC2=CC=CC=C2)[C@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O)N)N

InChI

InChI=1S/C32H47N5O3/c1-20-25(16-24(33)17-26(20)34)30(39)35-27(14-21-10-6-5-7-11-21)29(38)19-37-18-23-13-9-8-12-22(23)15-28(37)31(40)36-32(2,3)4/h5-7,10-11,16-17,22-23,27-29,38H,8-9,12-15,18-19,33-34H2,1-4H3,(H,35,39)(H,36,40)/t22-,23+,27-,28-,29-/m0/s1