(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[[(3S,5S)-1-cyclohexyl-5-(methylcarbamoyl)pyrrolidin-3-yl]-methyl-amino]-1-oxidanylidene-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Systemtic Name: (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[[(3S,5S)-1-cyclohexyl-5-(methylcarbamoyl)pyrrolidin-3-yl]-methyl-amino]-1-oxidanylidene-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: (3R)-N-[(1R)-1-[(4-chlorophenyl)methyl]-2-[[(3S,5S)-1-cyclohexyl-5-(methylcarbamoyl)pyrrolidin-3-yl]-methyl-amino]-2-oxo-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[[(3S,5S)-1-cyclohexyl-5-(methylcarbamoyl)-3-pyrrolidinyl]-methylamino]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[[(3S,5S)-1-cyclohexyl-5-(methylcarbamoyl)pyrrolidin-3-yl]-methylamino]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: (3R)-N-[(1R)-1-(4-chlorobenzyl)-2-[[(3S,5S)-1-cyclohexyl-5-(methylcarbamoyl)pyrrolidin-3-yl]-methyl-amino]-2-keto-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C32H42ClN5O3 MolecularWeight: 580.16058

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC(CN1C2CCCCC2)N(C)C(=O)C(CC3=CC=C(C=C3)Cl)NC(=O)C4CC5=CC=CC=C5CN4

Isomeric SMILES

CNC(=O)[C@@H]1C[C@@H](CN1C2CCCCC2)N(C)C(=O)[C@@H](CC3=CC=C(C=C3)Cl)NC(=O)[C@H]4CC5=CC=CC=C5CN4

InChI

InChI=1S/C32H42ClN5O3/c1-34-31(40)29-18-26(20-38(29)25-10-4-3-5-11-25)37(2)32(41)28(16-21-12-14-24(33)15-13-21)36-30(39)27-17-22-8-6-7-9-23(22)19-35-27/h6-9,12-15,25-29,35H,3-5,10-11,16-20H2,1-2H3,(H,34,40)(H,36,39)/t26-,27+,28+,29-/m0/s1