2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[(2-fluoranyl-4-sulfamoyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]ethyl]amino]ethanoic acid

Systemtic Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[(2-fluoranyl-4-sulfamoyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]ethyl]amino]ethanoic acid Openeye Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-(2-fluoro-4-sulfamoyl-anilino)-2-oxo-ethyl]amino]ethyl]amino]acetic acid CAS Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-(2-fluoro-4-sulfamoylanilino)-2-oxoethyl]amino]ethyl]amino]acetic acid IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-(2-fluoro-4-sulfamoylanilino)-2-oxoethyl]amino]ethyl]amino]acetic acid Traditional Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-(2-fluoro-4-sulfamoyl-anilino)-2-keto-ethyl]amino]ethyl]amino]acetic acid Formula: C20H28FN5O11S MolecularWeight: 565.526623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)N)F)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)N)F)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C20H28FN5O11S/c21-14-7-13(38(22,36)37)1-2-15(14)23-16(27)8-25(10-18(30)31)5-3-24(9-17(28)29)4-6-26(11-19(32)33)12-20(34)35/h1-2,7H,3-6,8-12H2,(H,23,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35)(H2,22,36,37)