7-[(2-acetamido-5-azanyl-5-oxidanylidene-pentanoyl)amino]-4-oxidanylidene-1H-quinoline-3-carboxylic acid

Systemtic Name: 7-[(2-acetamido-5-azanyl-5-oxidanylidene-pentanoyl)amino]-4-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 7-[(2-acetamido-5-amino-5-oxo-pentanoyl)amino]-4-oxo-1H-quinoline-3-carboxylic acid CAS Name: 7-[(2-acetamido-5-amino-1,5-dioxopentyl)amino]-4-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 7-[(2-acetamido-5-amino-5-oxopentanoyl)amino]-4-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 7-[(2-acetamido-5-amino-5-keto-pentanoyl)amino]-4-keto-1H-quinoline-3-carboxylic acid Formula: C17H18N4O6 MolecularWeight: 374.34802

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCC(=O)N)C(=O)NC1=CC2=C(C=C1)C(=O)C(=CN2)C(=O)O

Isomeric SMILES

CC(=O)NC(CCC(=O)N)C(=O)NC1=CC2=C(C=C1)C(=O)C(=CN2)C(=O)O

InChI

InChI=1S/C17H18N4O6/c1-8(22)20-12(4-5-14(18)23)16(25)21-9-2-3-10-13(6-9)19-7-11(15(10)24)17(26)27/h2-3,6-7,12H,4-5H2,1H3,(H2,18,23)(H,19,24)(H,20,22)(H,21,25)(H,26,27)