5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-[(4-methoxyquinolin-2-yl)carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-[(4-methoxyquinolin-2-yl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxo-pentanoic acid CAS Name: 5-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-4-[[(4-methoxy-2-quinolinyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxopentanoic acid Traditional Name: 5-[4-(1,3-benzothiazol-2-yl)piperazino]-5-keto-4-[(4-methoxyquinoline-2-carbonyl)amino]valeric acid Formula: C27H27N5O5S MolecularWeight: 533.59878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC2=CC=CC=C21)C(=O)NC(CCC(=O)O)C(=O)N3CCN(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC(=NC2=CC=CC=C21)C(=O)NC(CCC(=O)O)C(=O)N3CCN(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H27N5O5S/c1-37-22-16-21(28-18-7-3-2-6-17(18)22)25(35)29-20(10-11-24(33)34)26(36)31-12-14-32(15-13-31)27-30-19-8-4-5-9-23(19)38-27/h2-9,16,20H,10-15H2,1H3,(H,29,35)(H,33,34)