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

Systemtic Name: (2S)-N2-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-N1-cyclohexyl-4-pyridin-3-ylcarbonyl-piperazine-1,2-dicarboxamide Openeye Name: (2S)-N2-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-N1-cyclohexyl-4-(pyridine-3-carbonyl)piperazine-1,2-dicarboxamide CAS Name: (2S)-N2-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-N1-cyclohexyl-4-[oxo(3-pyridinyl)methyl]piperazine-1,2-dicarboxamide IUPAC Name: (2S)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-cyclohexyl-4-(pyridine-3-carbonyl)piperazine-1,2-dicarboxamide Traditional Name: (2S)-N'-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-N-cyclohexyl-4-nicotinoyl-piperazine-1,2-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)NC3CCCCC3)C(=O)C4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)N)NC(=O)[C@@H]2CN(CCN2C(=O)NC3CCCCC3)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C27H40N6O4/c28-24(34)22(16-19-8-3-1-4-9-19)31-25(35)23-18-32(26(36)20-10-7-13-29-17-20)14-15-33(23)27(37)30-21-11-5-2-6-12-21/h7,10,13,17,19,21-23H,1-6,8-9,11-12,14-16,18H2,(H2,28,34)(H,30,37)(H,31,35)/t22-,23-/m0/s1