basic_info |
|
| Product_Name: | AC-TYR(PO3H2)-TYR(PO3H2)-TYR(PO3H2)-ILE-GLU-OH TRIFLUOROACETATE SALT |
| EnglishSynonyms: | AC-TYR(PO3H2)-TYR(PO3H2)-TYR(PO3H2)-ILE-GLU-OH TRIFLUOROACETATE SALT |
| pro_mdlNumber: | MFCD18782152 |
| pro_acceptors: | 26 |
| pro_donors: | 13 |
| pro_smile: | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)OP(=O)(O)O)NC(=O)[C@H](Cc2ccc(cc2)OP(=O)(O)O)NC(=O)[C@H](Cc3ccc(cc3)OP(=O)(O)O)NC(=O)C.C(=O)(C(F)(F)F)O |
| InChi: | InChI=1S/C40H52N5O21P3.C2HF3O2/c1-4-22(2)35(39(52)42-30(40(53)54)17-18-34(47)48)45-38(51)33(21-26-9-15-29(16-10-26)66-69(61,62)63)44-37(50)32(20-25-7-13-28(14-8-25)65-68(58,59)60)43-36(49)31(41-23(3)46)19-24-5-11-27(12-6-24)64-67(55,56)57;3-2(4,5)1(6)7/h5-16,22,30-33,35H,4,17-21H2,1-3H3,(H,41,46)(H,42,52)(H,43,49)(H,44,50)(H,45,51)(H,47,48)(H,53,54)(H2,55,56,57)(H2,58,59,60)(H2,61,62,63);(H,6,7)/t22-,30-,31-,32-,33-,35-;/m0./s1 |
| InChiKey: | InChIKey=JYVWSLNXAMNRPM-XDKJPHPASA-N |
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