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

Systemtic Name: (4S)-5-(4-heptoxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[(6-phenylpyridin-2-yl)carbonylamino]pentanoic acid Openeye Name: (4S)-5-(4-heptoxycarbonylpiperazin-1-yl)-5-oxo-4-[(6-phenylpyridine-2-carbonyl)amino]pentanoic acid CAS Name: (4S)-5-[4-[heptoxy(oxo)methyl]-1-piperazinyl]-5-oxo-4-[[oxo-(6-phenyl-2-pyridinyl)methyl]amino]pentanoic acid IUPAC Name: (4S)-5-(4-heptoxycarbonylpiperazin-1-yl)-5-oxo-4-[(6-phenylpyridine-2-carbonyl)amino]pentanoic acid Traditional Name: (4S)-5-(4-heptoxycarbonylpiperazino)-5-keto-4-[(6-phenylpicolinoyl)amino]valeric acid Formula: C29H38N4O6 MolecularWeight: 538.63522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38N4O6/c1-2-3-4-5-9-21-39-29(38)33-19-17-32(18-20-33)28(37)25(15-16-26(34)35)31-27(36)24-14-10-13-23(30-24)22-11-7-6-8-12-22/h6-8,10-14,25H,2-5,9,15-21H2,1H3,(H,31,36)(H,34,35)/t25-/m0/s1