basic_info |
|
| Product_Name: | (D-ARG0,HYP3,D-PHE7)-BRADYKININ TRIFLUOROACETATE SALT |
| EnglishSynonyms: | (D-ARG0,HYP3,D-PHE7)-BRADYKININ TRIFLUOROACETATE SALT ; H-D-ARG-ARG-PRO-HYP-GLY-PHE-SER-D-PHE-PHE-ARG-OH TRIFLUOROACETATE SALT |
| pro_mdlNumber: | MFCD18633350 |
| pro_acceptors: | 32 |
| pro_donors: | 20 |
| pro_smile: | c1ccc(cc1)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)CNC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H]5CCCN5C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)N)O.C(=O)(C(F)(F)F)O |
| InChi: | InChI=1S/C60H87N19O13.C2HF3O2/c61-39(20-10-24-68-58(62)63)49(83)73-40(21-11-25-69-59(64)65)55(89)78-27-13-23-46(78)56(90)79-33-38(81)31-47(79)54(88)71-32-48(82)72-42(28-35-14-4-1-5-15-35)50(84)77-45(34-80)53(87)76-44(30-37-18-8-3-9-19-37)52(86)75-43(29-36-16-6-2-7-17-36)51(85)74-41(57(91)92)22-12-26-70-60(66)67;3-2(4,5)1(6)7/h1-9,14-19,38-47,80-81H,10-13,20-34,61H2,(H,71,88)(H,72,82)(H,73,83)(H,74,85)(H,75,86)(H,76,87)(H,77,84)(H,91,92)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70);(H,6,7)/t38-,39-,40+,41+,42+,43+,44-,45+,46+,47+;/m1./s1 |
| InChiKey: | InChIKey=VHHQYOKKPQMRKH-UXKTUABYSA-N |
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