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

Systemtic Name: (3S)-N3-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-morpholin-4-ylcarbonyl-N1-phenyl-piperazine-1,3-dicarboxamide Openeye Name: (3S)-N3-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-4-(morpholine-4-carbonyl)-N1-phenyl-piperazine-1,3-dicarboxamide CAS Name: (3S)-N3-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-[4-morpholinyl(oxo)methyl]-N1-phenylpiperazine-1,3-dicarboxamide IUPAC Name: (3S)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(morpholine-4-carbonyl)-1-N-phenylpiperazine-1,3-dicarboxamide Traditional Name: (3S)-N'-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-4-(morpholine-4-carbonyl)-N-phenyl-piperazine-1,3-dicarboxamide Formula: C26H38N6O5 MolecularWeight: 514.61712

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N)NC(=O)C2CN(CCN2C(=O)N3CCOCC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)N)NC(=O)[C@@H]2CN(CCN2C(=O)N3CCOCC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H38N6O5/c27-23(33)21(17-19-7-3-1-4-8-19)29-24(34)22-18-31(25(35)28-20-9-5-2-6-10-20)11-12-32(22)26(36)30-13-15-37-16-14-30/h2,5-6,9-10,19,21-22H,1,3-4,7-8,11-18H2,(H2,27,33)(H,28,35)(H,29,34)/t21-,22-/m0/s1