(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-3-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenylsulfanyl-butyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide; [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid

Systemtic Name: (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-3-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenylsulfanyl-butyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide; [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid Openeye Name: (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenylsulfanyl-butyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide; [(1R)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methylphosphonic acid CAS Name: (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)-oxomethyl]amino]-4-(phenylthio)butyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide; [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid IUPAC Name: (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide; [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid Traditional Name: (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-(phenylthio)butyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide; [(1R)-2-adenin-9-yl-1-methyl-ethoxy]methylphosphonic acid Formula: C41H59N8O8PS MolecularWeight: 854.994721

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O.CC(CN1C=NC2=C1N=CN=C2N)OCP(=O)(O)O

Isomeric SMILES

CC1=C(C=CC=C1O)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.C[C@H](CN1C=NC2=C1N=CN=C2N)OCP(=O)(O)O

InChI

InChI=1S/C32H45N3O4S.C9H14N5O4P/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4;1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39);3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t22-,23+,26-,27-,29+;6-/m01/s1