2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[(4-isothiocyanatophenyl)methyl]amino]ethyl]amino]ethanoic acid

Systemtic Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[(4-isothiocyanatophenyl)methyl]amino]ethyl]amino]ethanoic acid Openeye Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[(4-isothiocyanatophenyl)methyl]amino]ethyl]amino]acetic acid CAS Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[(4-isothiocyanatophenyl)methyl]amino]ethyl]amino]acetic acid IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[(4-isothiocyanatophenyl)methyl]amino]ethyl]amino]acetic acid Traditional Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-(4-isothiocyanatobenzyl)amino]ethyl]amino]acetic acid Formula: C20H26N4O8S MolecularWeight: 482.50744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)N=C=S

Isomeric SMILES

C1=CC(=CC=C1CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)N=C=S

InChI

InChI=1S/C20H26N4O8S/c25-17(26)10-22(6-8-24(12-19(29)30)13-20(31)32)5-7-23(11-18(27)28)9-15-1-3-16(4-2-15)21-14-33/h1-4H,5-13H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)