DABCYL-ARG-GLY-VAL-VAL-ASN-ALA-SER-SER-ARG-LEU-ALA-EDANS TRIFLUOROACETATE SALT

pro_cas
pro_cdbregno
CCD04334249
pro_formula
C73 H109 N23 O18 S . C2 H F3 O2
pro_molWeight
1742.9

basic_info

Product_Name: DABCYL-ARG-GLY-VAL-VAL-ASN-ALA-SER-SER-ARG-LEU-ALA-EDANS TRIFLUOROACETATE SALT
EnglishSynonyms: DABCYL-ARG-GLY-VAL-VAL-ASN-ALA-SER-SER-ARG-LEU-ALA-EDANS TRIFLUOROACETATE SALT ; FLUOROGENIC HUMAN CMV PROTEASE SUBSTRATE TRIFLUOROACETATE SALT
pro_mdlNumber: MFCD18633318
pro_acceptors: 41
pro_donors: 23
pro_smile: CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)NCCNc1cccc2c1cccc2S(=O)(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)c3ccc(cc3)/N=N/c4ccc(cc4)N(C)C.C(=O)(C(F)(F)F)O
InChi: InChI=1S/C73H109N23O18S.C2HF3O2/c1-38(2)33-52(66(106)84-41(7)61(101)80-32-31-79-49-17-11-16-48-47(49)15-12-20-56(48)115(112,113)114)88-65(105)51(19-14-30-82-73(77)78)87-68(108)55(37-98)91-69(109)54(36-97)90-62(102)42(8)85-67(107)53(34-57(74)99)89-70(110)60(40(5)6)93-71(111)59(39(3)4)92-58(100)35-83-64(104)50(18-13-29-81-72(75)76)86-63(103)43-21-23-44(24-22-43)94-95-45-25-27-46(28-26-45)96(9)10;3-2(4,5)1(6)7/h11-12,15-17,20-28,38-42,50-55,59-60,79,97-98H,13-14,18-19,29-37H2,1-10H3,(H2,74,99)(H,80,101)(H,83,104)(H,84,106)(H,85,107)(H,86,103)(H,87,108)(H,88,105)(H,89,110)(H,90,102)(H,91,109)(H,92,100)(H,93,111)(H4,75,76,81)(H4,77,78,82)(H,112,113,114);(H,6,7)/b95-94+;/t41-,42-,50-,51-,52-,53-,54-,55-,59-,60-;/m0./s1
InChiKey: InChIKey=QNMZTKAHIRYWTL-SOIWCTASSA-N

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