5-(4-ethoxycarbonylpiperazin-1-yl)-4-[(4-methylsulfanylquinolin-2-yl)carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[(4-methylsulfanylquinolin-2-yl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[(4-methylsulfanylquinoline-2-carbonyl)amino]-5-oxo-pentanoic acid CAS Name: 5-(4-ethoxycarbonyl-1-piperazinyl)-4-[[[4-(methylthio)-2-quinolinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[(4-methylsulfanylquinoline-2-carbonyl)amino]-5-oxopentanoic acid Traditional Name: 5-(4-carbethoxypiperazino)-5-keto-4-[[4-(methylthio)quinoline-2-carbonyl]amino]valeric acid Formula: C23H28N4O6S MolecularWeight: 488.55662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=CC=CC=C3C(=C2)SC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=CC=CC=C3C(=C2)SC

InChI

InChI=1S/C23H28N4O6S/c1-3-33-23(32)27-12-10-26(11-13-27)22(31)17(8-9-20(28)29)25-21(30)18-14-19(34-2)15-6-4-5-7-16(15)24-18/h4-7,14,17H,3,8-13H2,1-2H3,(H,25,30)(H,28,29)