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

Systemtic Name: (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[[(3S,5S)-1-cyclohexyl-5-(methylcarbamoyl)pyrrolidin-3-yl]amino]-1-oxidanylidene-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide dihydrochloride Openeye Name: (3R)-N-[(1R)-1-[(4-chlorophenyl)methyl]-2-[[(3S,5S)-1-cyclohexyl-5-(methylcarbamoyl)pyrrolidin-3-yl]amino]-2-oxo-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide dihydrochloride CAS Name: (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[[(3S,5S)-1-cyclohexyl-5-(methylcarbamoyl)-3-pyrrolidinyl]amino]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide dihydrochloride IUPAC Name: (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[[(3S,5S)-1-cyclohexyl-5-(methylcarbamoyl)pyrrolidin-3-yl]amino]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide dihydrochloride Traditional Name: (3R)-N-[(1R)-1-(4-chlorobenzyl)-2-[[(3S,5S)-1-cyclohexyl-5-(methylcarbamoyl)pyrrolidin-3-yl]amino]-2-keto-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide dihydrochloride Formula: C31H42Cl3N5O3 MolecularWeight: 639.05588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H40ClN5O3.2ClH/c1-33-31(40)28-17-24(19-37(28)25-9-3-2-4-10-25)35-30(39)27(15-20-11-13-23(32)14-12-20)36-29(38)26-16-21-7-5-6-8-22(21)18-34-26;;/h5-8,11-14,24-28,34H,2-4,9-10,15-19H2,1H3,(H,33,40)(H,35,39)(H,36,38);2*1H/t24-,26+,27+,28-;;/m0../s1