AC-THR-GLN-THR-ASP-AFC

pro_cas
pro_cdbregno
CCD00424429
pro_formula
C29 H35 F3 N6 O12
pro_molWeight
716.62

basic_info

Product_Name: AC-THR-GLN-THR-ASP-AFC
EnglishSynonyms: DRONC SUBSTRATE ; AC-THR-GLN-THR-ASP-AFC ; DRONC SUBSTRATE II, FLUOROGENIC ; ACETYL-THR-GLN-THR-ASP-7-AMINO-4(TRIFLUOROMETHYL)-COUMARIDE ; AC-TQTD-AFC
pro_mdlNumber: MFCD03844456
pro_acceptors: 18
pro_donors: 9
pro_smile: C[C@H]([C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F)NC(=O)C)O
InChi: InChI=1S/C29H35F3N6O12/c1-11(39)23(34-13(3)41)27(48)36-17(6-7-20(33)42)25(46)38-24(12(2)40)28(49)37-18(10-21(43)44)26(47)35-14-4-5-15-16(29(30,31)32)9-22(45)50-19(15)8-14/h4-5,8-9,11-12,17-18,23-24,39-40H,6-7,10H2,1-3H3,(H2,33,42)(H,34,41)(H,35,47)(H,36,48)(H,37,49)(H,38,46)(H,43,44)/t11-,12-,17+,18+,23+,24+/m1/s1
InChiKey: InChIKey=GGQWQPPLDFMEIN-HRTZVHIOSA-N

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