(2R)-N2-[(2R)-1-azanyl-1-oxidanylidene-3-pyridin-3-yl-propan-2-yl]-N1-cyclohexyl-4-pyridin-3-ylcarbonyl-piperazine-1,2-dicarboxamide

Systemtic Name: (2R)-N2-[(2R)-1-azanyl-1-oxidanylidene-3-pyridin-3-yl-propan-2-yl]-N1-cyclohexyl-4-pyridin-3-ylcarbonyl-piperazine-1,2-dicarboxamide Openeye Name: (2R)-N2-[(1R)-2-amino-2-oxo-1-(3-pyridylmethyl)ethyl]-N1-cyclohexyl-4-(pyridine-3-carbonyl)piperazine-1,2-dicarboxamide CAS Name: (2R)-N2-[(2R)-1-amino-1-oxo-3-(3-pyridinyl)propan-2-yl]-N1-cyclohexyl-4-[oxo(3-pyridinyl)methyl]piperazine-1,2-dicarboxamide IUPAC Name: (2R)-2-N-[(2R)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]-1-N-cyclohexyl-4-(pyridine-3-carbonyl)piperazine-1,2-dicarboxamide Traditional Name: (2R)-N'-[(1R)-2-amino-2-keto-1-(3-pyridylmethyl)ethyl]-N-cyclohexyl-4-nicotinoyl-piperazine-1,2-dicarboxamide Formula: C26H33N7O4 MolecularWeight: 507.58472

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N2CCN(CC2C(=O)NC(CC3=CN=CC=C3)C(=O)N)C(=O)C4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)N2CCN(C[C@@H]2C(=O)N[C@H](CC3=CN=CC=C3)C(=O)N)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C26H33N7O4/c27-23(34)21(14-18-6-4-10-28-15-18)31-24(35)22-17-32(25(36)19-7-5-11-29-16-19)12-13-33(22)26(37)30-20-8-2-1-3-9-20/h4-7,10-11,15-16,20-22H,1-3,8-9,12-14,17H2,(H2,27,34)(H,30,37)(H,31,35)/t21-,22-/m1/s1