(4S)-5-(4-cyclohexyloxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[(6-phenylpyridin-2-yl)carbonylamino]pentanoic acid

Systemtic Name: (4S)-5-(4-cyclohexyloxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[(6-phenylpyridin-2-yl)carbonylamino]pentanoic acid Openeye Name: (4S)-5-[4-(cyclohexoxycarbonyl)piperazin-1-yl]-5-oxo-4-[(6-phenylpyridine-2-carbonyl)amino]pentanoic acid CAS Name: (4S)-5-[4-[cyclohexyloxy(oxo)methyl]-1-piperazinyl]-5-oxo-4-[[oxo-(6-phenyl-2-pyridinyl)methyl]amino]pentanoic acid IUPAC Name: (4S)-5-(4-cyclohexyloxycarbonylpiperazin-1-yl)-5-oxo-4-[(6-phenylpyridine-2-carbonyl)amino]pentanoic acid Traditional Name: (4S)-5-[4-(cyclohexoxycarbonyl)piperazino]-5-keto-4-[(6-phenylpicolinoyl)amino]valeric acid Formula: C28H34N4O6 MolecularWeight: 522.59276

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)N2CCN(CC2)C(=O)C(CCC(=O)O)NC(=O)C3=CC=CC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)OC(=O)N2CCN(CC2)C(=O)[C@H](CCC(=O)O)NC(=O)C3=CC=CC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C28H34N4O6/c33-25(34)15-14-24(30-26(35)23-13-7-12-22(29-23)20-8-3-1-4-9-20)27(36)31-16-18-32(19-17-31)28(37)38-21-10-5-2-6-11-21/h1,3-4,7-9,12-13,21,24H,2,5-6,10-11,14-19H2,(H,30,35)(H,33,34)/t24-/m0/s1