735273-10-6
(S,S)-[(1-(4-isothiocyanato-benzyl)-2-{[2-(bis-carboxymethyl-amino)-propyl]-carboxymethyl-amino}-ethyl)-carboxymethyl-amino]-acetic acid
Name(S,S)-[(1-(4-isothiocyanato-benzyl)-2-{[2-(bis-carboxymethyl-amino)-propyl]-carboxymethyl-amino}-ethyl)-carboxymethyl-amino]-acetic acid
1Identification
【Name】
(S,S)-[(1-(4-isothiocyanato-benzyl)-2-{[2-(bis-carboxymethyl-amino)-propyl]-carboxymethyl-amino}-ethyl)-carboxymethyl-amino]-acetic acid
【CAS】
【MDL】
【English Synonyms】
【Formula】
C23H30N4O10S
【MolWeight】
554.57
【Inchi】
InChI=1S/C23H30N4O10S/c1-15(26(10-20(30)31)11-21(32)33)7-25(9-19(28)29)8-18(27(12-22(34)35)13-23(36)37)6-16-2-4-17(5-3-16)24-14-38/h2-5,15,18H,6-13H2,1H3,(H,28,29)(H,30,31)(H,32,33)(H,34,35)(H,36,37)/t15-,18-/m0/s1
【InChIKey】
InChIKey=FZDFGHZZPBUTGP-YJBOKZPZSA-N
【SMILES】
N(=C=S)C1=CC=C(C[C@@H](CN(CC(=O)O)C[C@H](C)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)C=C1
【MOL File】
(S,S)-[(1-(4-isothio….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
(S,S)-[(1-(4-isothiocyanato-benzyl)-2-{[2-(bis-carboxymethyl-amino)-propyl]-carboxymethyl-amino}-ethyl)-carboxymethyl-amino]-acetic acid.cml