(3S)-1-[2-[[4-(6-azanylhexanoylamino)piperidin-1-yl]carbonylamino]-3-(3,4-dichlorophenyl)propanoyl]-N-ethyl-3-(phenylmethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-[2-[[4-(6-azanylhexanoylamino)piperidin-1-yl]carbonylamino]-3-(3,4-dichlorophenyl)propanoyl]-N-ethyl-3-(phenylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-[2-[[4-(6-aminohexanoylamino)piperidine-1-carbonyl]amino]-3-(3,4-dichlorophenyl)propanoyl]-3-benzyl-N-ethyl-piperidine-3-carboxamide CAS Name: (3S)-1-[2-[[[4-[(6-amino-1-oxohexyl)amino]-1-piperidinyl]-oxomethyl]amino]-3-(3,4-dichlorophenyl)-1-oxopropyl]-N-ethyl-3-(phenylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-[2-[[4-(6-aminohexanoylamino)piperidine-1-carbonyl]amino]-3-(3,4-dichlorophenyl)propanoyl]-3-benzyl-N-ethylpiperidine-3-carboxamide Traditional Name: (3S)-1-[2-[[4-(6-aminohexanoylamino)piperidine-1-carbonyl]amino]-3-(3,4-dichlorophenyl)propanoyl]-3-benzyl-N-ethyl-nipecotamide Formula: C36H50Cl2N6O4 MolecularWeight: 701.726

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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)N3CCC(CC3)NC(=O)CCCCCN)CC4=CC=CC=C4

Isomeric SMILES

CCNC(=O)[C@@]1(CCCN(C1)C(=O)C(CC2=CC(=C(C=C2)Cl)Cl)NC(=O)N3CCC(CC3)NC(=O)CCCCCN)CC4=CC=CC=C4

InChI

InChI=1S/C36H50Cl2N6O4/c1-2-40-34(47)36(24-26-10-5-3-6-11-26)17-9-19-44(25-36)33(46)31(23-27-13-14-29(37)30(38)22-27)42-35(48)43-20-15-28(16-21-43)41-32(45)12-7-4-8-18-39/h3,5-6,10-11,13-14,22,28,31H,2,4,7-9,12,15-21,23-25,39H2,1H3,(H,40,47)(H,41,45)(H,42,48)/t31?,36-/m0/s1