(3R)-N-[(2R)-1-[[(3S,5S)-5-(tert-butylcarbamoyl)-1-cyclohexyl-pyrrolidin-3-yl]-methyl-amino]-3-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (3R)-N-[(2R)-1-[[(3S,5S)-5-(tert-butylcarbamoyl)-1-cyclohexyl-pyrrolidin-3-yl]-methyl-amino]-3-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (3R)-N-[(1R)-2-[[(3S,5S)-5-(tert-butylcarbamoyl)-1-cyclohexyl-pyrrolidin-3-yl]-methyl-amino]-1-[(4-chlorophenyl)methyl]-2-oxo-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: (3R)-N-[(2R)-1-[[(3S,5S)-5-[(tert-butylamino)-oxomethyl]-1-cyclohexyl-3-pyrrolidinyl]-methylamino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: (3R)-N-[(2R)-1-[[(3S,5S)-5-(tert-butylcarbamoyl)-1-cyclohexylpyrrolidin-3-yl]-methylamino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: (3R)-N-[(1R)-2-[[(3S,5S)-5-(tert-butylcarbamoyl)-1-cyclohexyl-pyrrolidin-3-yl]-methyl-amino]-1-(4-chlorobenzyl)-2-keto-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; 2,2,2-trifluoroacetic acid Formula: C37H49ClF3N5O5 MolecularWeight: 736.26367

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)NC(=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.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C35H48ClN5O3.C2HF3O2/c1-35(2,3)39-33(43)31-20-28(22-41(31)27-12-6-5-7-13-27)40(4)34(44)30(18-23-14-16-26(36)17-15-23)38-32(42)29-19-24-10-8-9-11-25(24)21-37-29;3-2(4,5)1(6)7/h8-11,14-17,27-31,37H,5-7,12-13,18-22H2,1-4H3,(H,38,42)(H,39,43);(H,6,7)/t28-,29+,30+,31-;/m0./s1