[1-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-[(5R)-2-oxidanylidene-3,5-bis(phenylmethyl)pyrrolidin-1-yl]propan-2-yl] dihydrogen phosphate

Systemtic Name: [1-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-[(5R)-2-oxidanylidene-3,5-bis(phenylmethyl)pyrrolidin-1-yl]propan-2-yl] dihydrogen phosphate Openeye Name: [1-[[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-2-[(5R)-3,5-dibenzyl-2-oxo-pyrrolidin-1-yl]ethyl] dihydrogen phosphate CAS Name: [1-[(3S,4aS,8aS)-3-[(tert-butylamino)-oxomethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-[(5R)-2-oxo-3,5-bis(phenylmethyl)-1-pyrrolidinyl]propan-2-yl] dihydrogen phosphate IUPAC Name: [1-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-[(5R)-3,5-dibenzyl-2-oxopyrrolidin-1-yl]propan-2-yl] dihydrogen phosphate Traditional Name: [1-[[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-2-[(5R)-3,5-dibenzyl-2-keto-pyrrolidino]ethyl] dihydrogen phosphate Formula: C35H50N3O6P MolecularWeight: 639.761761

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(CN3C(CC(C3=O)CC4=CC=CC=C4)CC5=CC=CC=C5)OP(=O)(O)O

Isomeric SMILES

CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1CC(CN3[C@H](CC(C3=O)CC4=CC=CC=C4)CC5=CC=CC=C5)OP(=O)(O)O

InChI

InChI=1S/C35H50N3O6P/c1-35(2,3)36-33(39)32-21-27-16-10-11-17-28(27)22-37(32)23-31(44-45(41,42)43)24-38-30(19-26-14-8-5-9-15-26)20-29(34(38)40)18-25-12-6-4-7-13-25/h4-9,12-15,27-32H,10-11,16-24H2,1-3H3,(H,36,39)(H2,41,42,43)/t27-,28+,29?,30-,31?,32-/m0/s1