5-oxidanylidene-4-(phenylmethoxycarbonylamino)-5-(4-quinolin-2-ylpiperazin-1-yl)pentanoic acid

Systemtic Name: 5-oxidanylidene-4-(phenylmethoxycarbonylamino)-5-(4-quinolin-2-ylpiperazin-1-yl)pentanoic acid Openeye Name: 4-(benzyloxycarbonylamino)-5-oxo-5-[4-(2-quinolyl)piperazin-1-yl]pentanoic acid CAS Name: 5-oxo-4-(phenylmethoxycarbonylamino)-5-[4-(2-quinolinyl)-1-piperazinyl]pentanoic acid IUPAC Name: 5-oxo-4-(phenylmethoxycarbonylamino)-5-(4-quinolin-2-ylpiperazin-1-yl)pentanoic acid Traditional Name: 4-(benzyloxycarbonylamino)-5-keto-5-[4-(2-quinolyl)piperazino]valeric acid Formula: C26H28N4O5 MolecularWeight: 476.52432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3C=C2)C(=O)C(CCC(=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3C=C2)C(=O)C(CCC(=O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O5/c31-24(32)13-11-22(28-26(34)35-18-19-6-2-1-3-7-19)25(33)30-16-14-29(15-17-30)23-12-10-20-8-4-5-9-21(20)27-23/h1-10,12,22H,11,13-18H2,(H,28,34)(H,31,32)