basic_info |
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Product_Name: | P-NH2-BN-DTPA-TFA |
CAS: | 102650-29-3 |
EnglishSynonyms: | S-2-(4-AMINOBENZYL)-DIETHYLENETRIAMINE PENTAACETIC ACID TFA SALT ; S-2-(4-AMINOBENZYL)-DIETHYLENETRIAMINE PENTAACETIC ACID, 4TFA ; P-NH2-BN-DTPA-TFA |
pro_mdlNumber: | MFCD20922757 |
pro_acceptors: | 14 |
pro_donors: | 6 |
pro_smile: | c1cc(ccc1C[C@@H](CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O |
InChi: | InChI=1S/C21H30N4O10.4C2HF3O2/c22-15-3-1-14(2-4-15)7-16(25(12-20(32)33)13-21(34)35)8-23(9-17(26)27)5-6-24(10-18(28)29)11-19(30)31;4*3-2(4,5)1(6)7/h1-4,16H,5-13,22H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35);4*(H,6,7)/t16-;;;;/m0..../s1 |
InChiKey: | InChIKey=UUGQHRZUHRHGHC-FXAGWRDUSA-N |
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