{4-carboxymethyl-7-[2-(carboxymethyl-amino)-3-(4-isothiocyanato-phenyl)-propyl]-[1,4,7]-triazonan-1-yl}-acetic acid

CAS No.
1041634-52-9
CCD No.
CCD08299431
Formula
C22H31N5O6S
MolWeight
493.576

Basic Information

Product Name: {4-carboxymethyl-7-[2-(carboxymethyl-amino)-3-(4-isothiocyanato-phenyl)-propyl]-[1,4,7]-triazonan-1-yl}-acetic acid
CAS: 1041634-52-9
English Synonyms: {4-CARBOXYMETHYL-7-[2-(CARBOXYMETHYL-AMINO)-3-(4-ISOTHIOCYANATO-PHENYL)-PROPYL]-[1,4,7]-TRIAZONAN-1-YL}-ACETIC ACID
H bond acceptor: 0
H bond donor: 0
Smile: C(=O)(O)CN1CCN(CCN(CC1)CC(CC1=CC=C(C=C1)N=C=S)NCC(=O)O)CC(=O)O
InChi: InChI=1S/C22H31N5O6S/c28-20(29)12-23-19(11-17-1-3-18(4-2-17)24-16-34)13-25-5-7-26(14-21(30)31)9-10-27(8-6-25)15-22(32)33/h1-4,19,23H,5-15H2,(H,28,29)(H,30,31)(H,32,33)
InChiKey: InChIKey=PFOSJSFOGUXZAJ-UHFFFAOYSA-N

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