4-(2,3-Bis(Bis(Carboxymethylamino))Propyl)Phenyl Isothiocyanate
[CAS# 94344-71-5]

Identification

• Name: 4-(2,3-Bis(Bis(Carboxymethylamino))Propyl)Phenyl Isothiocyanate
• Synonyms: 2-[[(1S)-1-[(Bis(Carboxymethyl)Amino)Methyl]-2-(4-Isothiocyanatophenyl)Ethyl]-(Carboxymethyl)Amino]Acetic Acid; 2-[[(2S)-1-(Bis(Carboxymethyl)Amino)-3-(4-Isothiocyanatophenyl)Propan-2-Yl]-(Carboxymethyl)Amino]Ethanoic Acid; 4-(2,3-Bis(Bis(Carboxymethylamino
• Molecular Formula: C₁₈H₂₁N₃O₈S
• Molecular Weight: 439.44
• CAS Registry Number: 94344-71-5
• SMILES: S=C=NC1=CC=C(C=C1)C[C@@H](CN(CC(O)=O)CC(=O)O)N(CC(O)=O)CC(O)=O
• InChI: 1S/C18H21N3O8S/c22-15(23)7-20(8-16(24)25)6-14(21(9-17(26)27)10-18(28)29)5-12-1-3-13(4-2-12)19-11-30/h1-4,14H,5-10H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)/t14-/m0/s1
• InChIKey: VHMWJVAFPCGUTJ-AWEZNQCLSA-N