2-[[2-[bis(carboxymethyl)amino]-3-[4-[5-[2,5-bis(oxidanylidene)pyrrol-1-yl]pentylamino]phenyl]propyl]-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[2-[bis(carboxymethyl)amino]-3-[4-[5-[2,5-bis(oxidanylidene)pyrrol-1-yl]pentylamino]phenyl]propyl]-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[[2-[bis(carboxymethyl)amino]-3-[4-[5-(2,5-dioxopyrrol-1-yl)pentylamino]phenyl]propyl]-(carboxymethyl)amino]acetic acid CAS Name: 2-[[2-[bis(carboxymethyl)amino]-3-[4-[5-(2,5-dioxo-1-pyrrolyl)pentylamino]phenyl]propyl]-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[[2-[bis(carboxymethyl)amino]-3-[4-[5-(2,5-dioxopyrrol-1-yl)pentylamino]phenyl]propyl]-(carboxymethyl)amino]acetic acid Traditional Name: 2-[[2-[bis(carboxymethyl)amino]-3-[4-(5-maleimidopentylamino)phenyl]propyl]-(carboxymethyl)amino]acetic acid Formula: C26H34N4O10 MolecularWeight: 562.56896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NCCCCCN2C(=O)C=CC2=O

Isomeric SMILES

C1=CC(=CC=C1CC(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NCCCCCN2C(=O)C=CC2=O

InChI

InChI=1S/C26H34N4O10/c31-21-8-9-22(32)30(21)11-3-1-2-10-27-19-6-4-18(5-7-19)12-20(29(16-25(37)38)17-26(39)40)13-28(14-23(33)34)15-24(35)36/h4-9,20,27H,1-3,10-17H2,(H,33,34)(H,35,36)(H,37,38)(H,39,40)