5-[[1-(2-azanylpropanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-(sulfoamino)amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[1-(2-azanylpropanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-(sulfoamino)amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[1-(2-aminopropanoylamino)-2-hydroxy-2-oxo-ethyl]-(sulfoamino)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[1-[(2-amino-1-oxopropyl)amino]-2-hydroxy-2-oxoethyl]-(sulfoamino)amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[1-(2-aminopropanoylamino)-2-hydroxy-2-oxoethyl]-(sulfoamino)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[1-(alanylamino)-2-hydroxy-2-keto-ethyl]-(sulfoamino)amino]isophthalic acid Formula: C13H16N4O10S MolecularWeight: 420.35194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C(=O)O)N(C1=CC(=CC(=C1)C(=O)O)C(=O)O)NS(=O)(=O)O)N

Isomeric SMILES

CC(C(=O)NC(C(=O)O)N(C1=CC(=CC(=C1)C(=O)O)C(=O)O)NS(=O)(=O)O)N

InChI

InChI=1S/C13H16N4O10S/c1-5(14)10(18)15-9(13(23)24)17(16-28(25,26)27)8-3-6(11(19)20)2-7(4-8)12(21)22/h2-5,9,16H,14H2,1H3,(H,15,18)(H,19,20)(H,21,22)(H,23,24)(H,25,26,27)