(3S,4aS,8aS)-2-[(2R)-3-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-2-oxidanyl-propyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S,4aS,8aS)-2-[(2R)-3-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-2-oxidanyl-propyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S,4aS,8aS)-2-[(2R)-3-[(4-aminophenyl)sulfonyl-isobutyl-amino]-2-hydroxy-propyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide CAS Name: (3S,4aS,8aS)-2-[(2R)-3-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxypropyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S,4aS,8aS)-2-[(2R)-3-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxypropyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S,4aS,8aS)-N-tert-butyl-2-[(2R)-2-hydroxy-3-[isobutyl(sulfanilyl)amino]propyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide Formula: C27H46N4O4S MolecularWeight: 522.74354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(CN1CC2CCCCC2CC1C(=O)NC(C)(C)C)O)S(=O)(=O)C3=CC=C(C=C3)N

Isomeric SMILES

CC(C)CN(C[C@@H](CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)O)S(=O)(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C27H46N4O4S/c1-19(2)15-31(36(34,35)24-12-10-22(28)11-13-24)18-23(32)17-30-16-21-9-7-6-8-20(21)14-25(30)26(33)29-27(3,4)5/h10-13,19-21,23,25,32H,6-9,14-18,28H2,1-5H3,(H,29,33)/t20-,21+,23+,25-/m0/s1