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

Systemtic Name: (2S)-N2-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-N1-cyclohexyl-N4-phenyl-piperazine-1,2,4-tricarboxamide Openeye Name: (2S)-N2-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-N1-cyclohexyl-N4-phenyl-piperazine-1,2,4-tricarboxamide CAS Name: (2S)-N2-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-N1-cyclohexyl-N4-phenylpiperazine-1,2,4-tricarboxamide IUPAC Name: (2S)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-cyclohexyl-4-N-phenylpiperazine-1,2,4-tricarboxamide Traditional Name: (2S)-N2-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-N1-cyclohexyl-N4-phenyl-piperazine-1,2,4-tricarboxamide Formula: C28H42N6O4 MolecularWeight: 526.67088

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N)NC(=O)C2CN(CCN2C(=O)NC3CCCCC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)N)NC(=O)[C@@H]2CN(CCN2C(=O)NC3CCCCC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C28H42N6O4/c29-25(35)23(18-20-10-4-1-5-11-20)32-26(36)24-19-33(27(37)30-21-12-6-2-7-13-21)16-17-34(24)28(38)31-22-14-8-3-9-15-22/h2,6-7,12-13,20,22-24H,1,3-5,8-11,14-19H2,(H2,29,35)(H,30,37)(H,31,38)(H,32,36)/t23-,24-/m0/s1