2-[2-(carboxymethyl)-2-[2-[carboxymethyl-(carboxymethylamino)amino]-3-(4-isothiocyanatophenyl)propyl]hydrazinyl]ethanoic acid

Systemtic Name: 2-[2-(carboxymethyl)-2-[2-[carboxymethyl-(carboxymethylamino)amino]-3-(4-isothiocyanatophenyl)propyl]hydrazinyl]ethanoic acid Openeye Name: 2-[2-(carboxymethyl)-2-[2-[carboxymethyl-(carboxymethylamino)amino]-3-(4-isothiocyanatophenyl)propyl]hydrazino]acetic acid CAS Name: 2-[2-(carboxymethyl)-2-[2-[carboxymethyl-(carboxymethylamino)amino]-3-(4-isothiocyanatophenyl)propyl]hydrazinyl]acetic acid IUPAC Name: 2-[2-(carboxymethyl)-2-[2-[carboxymethyl-(carboxymethylamino)amino]-3-(4-isothiocyanatophenyl)propyl]hydrazinyl]acetic acid Traditional Name: 2-[N'-(carboxymethyl)-N'-[2-[carboxymethyl-(carboxymethylamino)amino]-3-(4-isothiocyanatophenyl)propyl]hydrazino]acetic acid Formula: C18H23N5O8S MolecularWeight: 469.46892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CN(CC(=O)O)NCC(=O)O)N(CC(=O)O)NCC(=O)O)N=C=S

Isomeric SMILES

C1=CC(=CC=C1CC(CN(CC(=O)O)NCC(=O)O)N(CC(=O)O)NCC(=O)O)N=C=S

InChI

InChI=1S/C18H23N5O8S/c24-15(25)6-20-22(9-17(28)29)8-14(23(10-18(30)31)21-7-16(26)27)5-12-1-3-13(4-2-12)19-11-32/h1-4,14,20-21H,5-10H2,(H,24,25)(H,26,27)(H,28,29)(H,30,31)