2-[[3-carboxy-2-[(1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]phenyl]amino]-3-methyl-butanedioic acid

Systemtic Name: 2-[[3-carboxy-2-[(1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]phenyl]amino]-3-methyl-butanedioic acid Openeye Name: 2-[3-carboxy-2-(1-carboxypropylamino)anilino]-3-methyl-butanedioic acid CAS Name: 2-[3-carboxy-2-[(1-hydroxy-1-oxobutan-2-yl)amino]anilino]-3-methylbutanedioic acid IUPAC Name: 2-[3-carboxy-2-[(1-hydroxy-1-oxobutan-2-yl)amino]anilino]-3-methylbutanedioic acid Traditional Name: 2-[3-carboxy-2-(1-carboxypropylamino)anilino]-3-methyl-succinic acid Formula: C16H20N2O8 MolecularWeight: 368.3386

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC1=C(C=CC=C1NC(C(C)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCC(C(=O)O)NC1=C(C=CC=C1NC(C(C)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C16H20N2O8/c1-3-9(15(23)24)17-12-8(14(21)22)5-4-6-10(12)18-11(16(25)26)7(2)13(19)20/h4-7,9,11,17-18H,3H2,1-2H3,(H,19,20)(H,21,22)(H,23,24)(H,25,26)