basic_info |
|
| Product_Name: | ACETYL-TYR-VAL-ALA-ASP-7-AMINO-4(TRIFLUOROMETHYL)-COUMARIDE |
| EnglishSynonyms: | ACETYL-TYR-VAL-ALA-ASP-7-AMINO-4(TRIFLUOROMETHYL)-COUMARIDE ; IBCE SUBSTRATE |
| pro_mdlNumber: | MFCD17215302 |
| pro_acceptors: | 15 |
| pro_donors: | 7 |
| pro_smile: | CC(C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(c1)c(cc(=O)o2)C(F)(F)F)NC(=O)[C@H](Cc3ccc(cc3)O)NC(=O)C |
| InChi: | InChI=1S/C33H36F3N5O10/c1-15(2)28(41-31(49)23(38-17(4)42)11-18-5-8-20(43)9-6-18)32(50)37-16(3)29(47)40-24(14-26(44)45)30(48)39-19-7-10-25-21(12-19)22(33(34,35)36)13-27(46)51-25/h5-10,12-13,15-16,23-24,28,43H,11,14H2,1-4H3,(H,37,50)(H,38,42)(H,39,48)(H,40,47)(H,41,49)(H,44,45)/t16-,23-,24-,28-/m0/s1 |
| InChiKey: | InChIKey=MYISRUZFBORZJB-DEQDFGQZSA-N |
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