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

Systemtic Name: (3R)-N-[(2R)-1-[[(3S,5S)-5-(tert-butylcarbamoyl)-1-ethanoyl-pyrrolidin-3-yl]-methyl-amino]-3-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: (3R)-N-[(1R)-2-[[(3S,5S)-1-acetyl-5-(tert-butylcarbamoyl)pyrrolidin-3-yl]-methyl-amino]-1-[(4-chlorophenyl)methyl]-2-oxo-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: (3R)-N-[(2R)-1-[[(3S,5S)-1-acetyl-5-[(tert-butylamino)-oxomethyl]-3-pyrrolidinyl]-methylamino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: (3R)-N-[(2R)-1-[[(3S,5S)-1-acetyl-5-(tert-butylcarbamoyl)pyrrolidin-3-yl]-methylamino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: (3R)-N-[(1R)-2-[[(3S,5S)-1-acetyl-5-(tert-butylcarbamoyl)pyrrolidin-3-yl]-methyl-amino]-1-(4-chlorobenzyl)-2-keto-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C31H40ClN5O4 MolecularWeight: 582.1334

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC1C(=O)NC(C)(C)C)N(C)C(=O)C(CC2=CC=C(C=C2)Cl)NC(=O)C3CC4=CC=CC=C4CN3

Isomeric SMILES

CC(=O)N1C[C@H](C[C@H]1C(=O)NC(C)(C)C)N(C)C(=O)[C@@H](CC2=CC=C(C=C2)Cl)NC(=O)[C@H]3CC4=CC=CC=C4CN3

InChI

InChI=1S/C31H40ClN5O4/c1-19(38)37-18-24(16-27(37)29(40)35-31(2,3)4)36(5)30(41)26(14-20-10-12-23(32)13-11-20)34-28(39)25-15-21-8-6-7-9-22(21)17-33-25/h6-13,24-27,33H,14-18H2,1-5H3,(H,34,39)(H,35,40)/t24-,25+,26+,27-/m0/s1