272120-41-9
(4,7,10-TRIS-BENZYLOXYCARBONYLMETHYL-1,4,7,10TETRAAZA-CYCLODODEC-1-YL)-ACETIC ACID
Name
(4,7,10-TRIS-BENZYLOXYCARBONYLMETHYL-1,4,7,10TETRAAZA-CYCLODODEC-1-YL)-ACETIC ACID
Formula
C37 H46 N4 O8
MolWeight
674.79
1Identification
【Name】
(4,7,10-TRIS-BENZYLOXYCARBONYLMETHYL-1,4,7,10TETRAAZA-CYCLODODEC-1-YL)-ACETIC ACID
【CAS】
【MDL】
MFCD11501515
【English Synonyms】
【Formula】
C37 H46 N4 O8
【MolWeight】
674.79
【Inchi】
InChI=1S/C37H46N4O8/c42-34(43)24-38-16-18-39(25-35(44)47-28-31-10-4-1-5-11-31)20-22-41(27-37(46)49-30-33-14-8-3-9-15-33)23-21-40(19-17-38)26-36(45)48-29-32-12-6-2-7-13-32/h1-15H,16-30H2,(H,42,43)
【InChIKey】
InChIKey=GDUSYVYMSBNFTK-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)COC(=O)CN2CCN(CCN(CCN(CC2)CC(=O)OCc3ccccc3)CC(=O)OCc4ccccc4)CC(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:12
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(4,7,10-TRIS-BENZYLOXYCARBONYLMETHYL-1,4,7,10TETRAAZA-CYCLODODEC-1-YL)-ACETIC ACID.cml
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