4-(6-azanylhexanoyl)-N-[3-(3,4-dichlorophenyl)-1-[(3S)-3-(ethylcarbamoyl)-3-(phenylmethyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]piperazine-1-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 4-(6-azanylhexanoyl)-N-[3-(3,4-dichlorophenyl)-1-[(3S)-3-(ethylcarbamoyl)-3-(phenylmethyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]piperazine-1-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-(6-aminohexanoyl)-N-[2-[(3S)-3-benzyl-3-(ethylcarbamoyl)-1-piperidyl]-1-[(3,4-dichlorophenyl)methyl]-2-oxo-ethyl]piperazine-1-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: 4-(6-amino-1-oxohexyl)-N-[3-(3,4-dichlorophenyl)-1-[(3S)-3-(ethylcarbamoyl)-3-(phenylmethyl)-1-piperidinyl]-1-oxopropan-2-yl]-1-piperazinecarboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: 4-(6-aminohexanoyl)-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: 4-(6-aminohexanoyl)-N-[2-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidino]-1-(3,4-dichlorobenzyl)-2-keto-ethyl]piperazine-1-carboxamide; 2,2,2-trifluoroacetic acid Formula: C37H49Cl2F3N6O6 MolecularWeight: 801.72277

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(CCCN(C1)C(=O)C(CC2=CC(=C(C=C2)Cl)Cl)NC(=O)N3CCN(CC3)C(=O)CCCCCN)CC4=CC=CC=C4.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCNC(=O)[C@@]1(CCCN(C1)C(=O)C(CC2=CC(=C(C=C2)Cl)Cl)NC(=O)N3CCN(CC3)C(=O)CCCCCN)CC4=CC=CC=C4.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C35H48Cl2N6O4.C2HF3O2/c1-2-39-33(46)35(24-26-10-5-3-6-11-26)15-9-17-43(25-35)32(45)30(23-27-13-14-28(36)29(37)22-27)40-34(47)42-20-18-41(19-21-42)31(44)12-7-4-8-16-38;3-2(4,5)1(6)7/h3,5-6,10-11,13-14,22,30H,2,4,7-9,12,15-21,23-25,38H2,1H3,(H,39,46)(H,40,47);(H,6,7)/t30?,35-;/m0./s1