5-oxidanylidene-4-[(8-oxidanyl-4-oxidanylidene-1H-quinolin-2-yl)carbonylamino]-5-[2-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)ethylamino]pentanoic acid

Systemtic Name: 5-oxidanylidene-4-[(8-oxidanyl-4-oxidanylidene-1H-quinolin-2-yl)carbonylamino]-5-[2-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)ethylamino]pentanoic acid Openeye Name: 4-[(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)amino]-5-oxo-5-[2-(6-thioxocyclohexa-1,3-dien-1-yl)ethylamino]pentanoic acid CAS Name: 4-[[(8-hydroxy-4-oxo-1H-quinolin-2-yl)-oxomethyl]amino]-5-oxo-5-[2-(6-sulfanylidene-1-cyclohexa-1,3-dienyl)ethylamino]pentanoic acid IUPAC Name: 4-[(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)amino]-5-oxo-5-[2-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)ethylamino]pentanoic acid Traditional Name: 4-[(8-hydroxy-4-keto-1H-quinoline-2-carbonyl)amino]-5-keto-5-[2-(6-thioxocyclohexa-1,3-dien-1-yl)ethylamino]valeric acid Formula: C23H23N3O6S MolecularWeight: 469.51022

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C(C1=S)CCNC(=O)C(CCC(=O)O)NC(=O)C2=CC(=O)C3=C(N2)C(=CC=C3)O

Isomeric SMILES

C1C=CC=C(C1=S)CCNC(=O)C(CCC(=O)O)NC(=O)C2=CC(=O)C3=C(N2)C(=CC=C3)O

InChI

InChI=1S/C23H23N3O6S/c27-17-6-3-5-14-18(28)12-16(25-21(14)17)23(32)26-15(8-9-20(29)30)22(31)24-11-10-13-4-1-2-7-19(13)33/h1-6,12,15,27H,7-11H2,(H,24,31)(H,25,28)(H,26,32)(H,29,30)