4-[[4-(1-ethoxycarbonylcyclobutyl)oxy-6-methylsulfanyl-quinolin-2-yl]carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[4-(1-ethoxycarbonylcyclobutyl)oxy-6-methylsulfanyl-quinolin-2-yl]carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[4-(1-ethoxycarbonylcyclobutoxy)-6-methylsulfanyl-quinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: 4-[[[4-(1-ethoxycarbonylcyclobutyl)oxy-6-(methylthio)-2-quinolinyl]-oxomethyl]amino]-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxopentanoic acid IUPAC Name: 4-[[4-(1-ethoxycarbonylcyclobutyl)oxy-6-methylsulfanylquinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid Traditional Name: 4-[[4-(1-carbethoxycyclobutoxy)-6-(methylthio)quinoline-2-carbonyl]amino]-5-(4-carbethoxypiperazino)-5-keto-valeric acid Formula: C30H38N4O9S MolecularWeight: 630.70912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC1)OC2=CC(=NC3=C2C=C(C=C3)SC)C(=O)NC(CCC(=O)O)C(=O)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CCC1)OC2=CC(=NC3=C2C=C(C=C3)SC)C(=O)NC(CCC(=O)O)C(=O)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C30H38N4O9S/c1-4-41-28(39)30(11-6-12-30)43-24-18-23(31-21-8-7-19(44-3)17-20(21)24)26(37)32-22(9-10-25(35)36)27(38)33-13-15-34(16-14-33)29(40)42-5-2/h7-8,17-18,22H,4-6,9-16H2,1-3H3,(H,32,37)(H,35,36)