(2R)-N2-[(2R)-1-azanyl-1-oxidanylidene-3-pyridin-3-yl-propan-2-yl]-N1-cyclohexyl-N4-phenyl-piperazine-1,2,4-tricarboxamide

Systemtic Name: (2R)-N2-[(2R)-1-azanyl-1-oxidanylidene-3-pyridin-3-yl-propan-2-yl]-N1-cyclohexyl-N4-phenyl-piperazine-1,2,4-tricarboxamide Openeye Name: (2R)-N2-[(1R)-2-amino-2-oxo-1-(3-pyridylmethyl)ethyl]-N1-cyclohexyl-N4-phenyl-piperazine-1,2,4-tricarboxamide CAS Name: (2R)-N2-[(2R)-1-amino-1-oxo-3-(3-pyridinyl)propan-2-yl]-N1-cyclohexyl-N4-phenylpiperazine-1,2,4-tricarboxamide IUPAC Name: (2R)-2-N-[(2R)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]-1-N-cyclohexyl-4-N-phenylpiperazine-1,2,4-tricarboxamide Traditional Name: (2R)-N2-[(1R)-2-amino-2-keto-1-(3-pyridylmethyl)ethyl]-N1-cyclohexyl-N4-phenyl-piperazine-1,2,4-tricarboxamide Formula: C27H35N7O4 MolecularWeight: 521.6113

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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)NC4=CC=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)NC4=CC=CC=C4

InChI

InChI=1S/C27H35N7O4/c28-24(35)22(16-19-8-7-13-29-17-19)32-25(36)23-18-33(26(37)30-20-9-3-1-4-10-20)14-15-34(23)27(38)31-21-11-5-2-6-12-21/h1,3-4,7-10,13,17,21-23H,2,5-6,11-12,14-16,18H2,(H2,28,35)(H,30,37)(H,31,38)(H,32,36)/t22-,23-/m1/s1