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

Systemtic Name: (4S)-5-oxidanylidene-5-(4-pentoxycarbonylpiperazin-1-yl)-4-[(6-phenylpyridin-2-yl)carbonylamino]pentanoic acid Openeye Name: (4S)-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)-4-[(6-phenylpyridine-2-carbonyl)amino]pentanoic acid CAS Name: (4S)-5-oxo-5-[4-[oxo(pentoxy)methyl]-1-piperazinyl]-4-[[oxo-(6-phenyl-2-pyridinyl)methyl]amino]pentanoic acid IUPAC Name: (4S)-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)-4-[(6-phenylpyridine-2-carbonyl)amino]pentanoic acid Traditional Name: (4S)-5-(4-amoxycarbonylpiperazino)-5-keto-4-[(6-phenylpicolinoyl)amino]valeric acid Formula: C27H34N4O6 MolecularWeight: 510.58206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O6/c1-2-3-7-19-37-27(36)31-17-15-30(16-18-31)26(35)23(13-14-24(32)33)29-25(34)22-12-8-11-21(28-22)20-9-5-4-6-10-20/h4-6,8-12,23H,2-3,7,13-19H2,1H3,(H,29,34)(H,32,33)/t23-/m0/s1