N-tert-butyl-4-cyclohexyl-1-[(2R)-2-[5-(1H-imidazol-5-yl)pentylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxamide

Systemtic Name: N-tert-butyl-4-cyclohexyl-1-[(2R)-2-[5-(1H-imidazol-5-yl)pentylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxamide Openeye Name: N-tert-butyl-4-cyclohexyl-1-[(2R)-2-[5-(1H-imidazol-5-yl)pentylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxamide CAS Name: N-tert-butyl-4-cyclohexyl-1-[(2R)-2-[[[5-(1H-imidazol-5-yl)pentylamino]-oxomethyl]amino]-3-(4-methoxyphenyl)-1-oxopropyl]-4-piperidinecarboxamide IUPAC Name: N-tert-butyl-4-cyclohexyl-1-[(2R)-2-[5-(1H-imidazol-5-yl)pentylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxamide Traditional Name: N-tert-butyl-4-cyclohexyl-1-[(2R)-2-[5-(1H-imidazol-5-yl)pentylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]isonipecotamide Formula: C35H54N6O4 MolecularWeight: 622.84106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)C(CC2=CC=C(C=C2)OC)NC(=O)NCCCCCC3=CN=CN3)C4CCCCC4

Isomeric SMILES

CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](CC2=CC=C(C=C2)OC)NC(=O)NCCCCCC3=CN=CN3)C4CCCCC4

InChI

InChI=1S/C35H54N6O4/c1-34(2,3)40-32(43)35(27-11-7-5-8-12-27)18-21-41(22-19-35)31(42)30(23-26-14-16-29(45-4)17-15-26)39-33(44)37-20-10-6-9-13-28-24-36-25-38-28/h14-17,24-25,27,30H,5-13,18-23H2,1-4H3,(H,36,38)(H,40,43)(H2,37,39,44)/t30-/m1/s1