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

Systemtic Name: (4S)-5-(4-hexoxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[(6-phenylpyridin-2-yl)carbonylamino]pentanoic acid Openeye Name: (4S)-5-(4-hexoxycarbonylpiperazin-1-yl)-5-oxo-4-[(6-phenylpyridine-2-carbonyl)amino]pentanoic acid CAS Name: (4S)-5-[4-[hexoxy(oxo)methyl]-1-piperazinyl]-5-oxo-4-[[oxo-(6-phenyl-2-pyridinyl)methyl]amino]pentanoic acid IUPAC Name: (4S)-5-(4-hexoxycarbonylpiperazin-1-yl)-5-oxo-4-[(6-phenylpyridine-2-carbonyl)amino]pentanoic acid Traditional Name: (4S)-5-(4-hexoxycarbonylpiperazino)-5-keto-4-[(6-phenylpicolinoyl)amino]valeric acid Formula: C28H36N4O6 MolecularWeight: 524.60864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=CC=CC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=CC=CC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C28H36N4O6/c1-2-3-4-8-20-38-28(37)32-18-16-31(17-19-32)27(36)24(14-15-25(33)34)30-26(35)23-13-9-12-22(29-23)21-10-6-5-7-11-21/h5-7,9-13,24H,2-4,8,14-20H2,1H3,(H,30,35)(H,33,34)/t24-/m0/s1