(3S)-N3-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-N1-phenyl-4-piperidin-4-ylcarbonyl-piperazine-1,3-dicarboxamide

Systemtic Name: (3S)-N3-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-N1-phenyl-4-piperidin-4-ylcarbonyl-piperazine-1,3-dicarboxamide Openeye Name: (3S)-N3-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-N1-phenyl-4-(piperidine-4-carbonyl)piperazine-1,3-dicarboxamide CAS Name: (3S)-N3-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-[oxo(4-piperidinyl)methyl]-N1-phenylpiperazine-1,3-dicarboxamide IUPAC Name: (3S)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-phenyl-4-(piperidine-4-carbonyl)piperazine-1,3-dicarboxamide Traditional Name: (3S)-N'-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-4-isonipecotoyl-N-phenyl-piperazine-1,3-dicarboxamide Formula: C27H40N6O4 MolecularWeight: 512.6443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N)NC(=O)C2CN(CCN2C(=O)C3CCNCC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)N)NC(=O)[C@@H]2CN(CCN2C(=O)C3CCNCC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H40N6O4/c28-24(34)22(17-19-7-3-1-4-8-19)31-25(35)23-18-32(27(37)30-21-9-5-2-6-10-21)15-16-33(23)26(36)20-11-13-29-14-12-20/h2,5-6,9-10,19-20,22-23,29H,1,3-4,7-8,11-18H2,(H2,28,34)(H,30,37)(H,31,35)/t22-,23-/m0/s1