{4-[2-(bis-carboxymethylamino)-5-(4-isothiocyanatophenyl) pentyl]-7-carboxymethyl-[1,4,7]triazonan-1-yl}acetic acid

CAS No.
1392222-52-4
CCD No.
CCD08299436
Formula
C26H37N5O8S
MolWeight
579.666

Basic Information

Product Name: {4-[2-(bis-carboxymethylamino)-5-(4-isothiocyanatophenyl) pentyl]-7-carboxymethyl-[1,4,7]triazonan-1-yl}acetic acid
CAS: 1392222-52-4
English Synonyms: {4-[2-(BIS-CARBOXYMETHYLAMINO)-5-(4-ISOTHIOCYANATOPHENYL) PENTYL]-7-CARBOXYMETHYL-[1,4,7]TRIAZONAN-1-YL}ACETIC ACID
H bond acceptor: 0
H bond donor: 0
Smile: C(=O)(O)CN(C(CN1CCN(CCN(CC1)CC(=O)O)CC(=O)O)CCCC1=CC=C(C=C1)N=C=S)CC(=O)O
InChi: InChI=1S/C26H37N5O8S/c32-23(33)15-29-10-8-28(9-11-30(13-12-29)16-24(34)35)14-22(31(17-25(36)37)18-26(38)39)3-1-2-20-4-6-21(7-5-20)27-19-40/h4-7,22H,1-3,8-18H2,(H,32,33)(H,34,35)(H,36,37)(H,38,39)
InChiKey: InChIKey=IEFJTSOWUJITSQ-UHFFFAOYSA-N

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