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

Systemtic Name: (4S)-5-(4-hexoxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[(4-oxidanylidene-6-phenyl-1H-pyridin-2-yl)carbonylamino]pentanoic acid Openeye Name: (4S)-5-(4-hexoxycarbonylpiperazin-1-yl)-5-oxo-4-[(4-oxo-6-phenyl-1H-pyridine-2-carbonyl)amino]pentanoic acid CAS Name: (4S)-5-[4-[hexoxy(oxo)methyl]-1-piperazinyl]-5-oxo-4-[[oxo-(4-oxo-6-phenyl-1H-pyridin-2-yl)methyl]amino]pentanoic acid IUPAC Name: (4S)-5-(4-hexoxycarbonylpiperazin-1-yl)-5-oxo-4-[(4-oxo-6-phenyl-1H-pyridine-2-carbonyl)amino]pentanoic acid Traditional Name: (4S)-5-(4-hexoxycarbonylpiperazino)-5-keto-4-[(4-keto-6-phenyl-1H-pyridine-2-carbonyl)amino]valeric acid Formula: C28H36N4O7 MolecularWeight: 540.60804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N4O7/c1-2-3-4-8-17-39-28(38)32-15-13-31(14-16-32)27(37)22(11-12-25(34)35)30-26(36)24-19-21(33)18-23(29-24)20-9-6-5-7-10-20/h5-7,9-10,18-19,22H,2-4,8,11-17H2,1H3,(H,29,33)(H,30,36)(H,34,35)/t22-/m0/s1