ABZ-LYS-ALA-ARG-VAL-NLE-P-NITRO-PHE-GLU-ALA-NLE-NH2 TRIFLUOROACETATE SALT

pro_cas
pro_cdbregno
CCD04458230
pro_formula
C56 H88 N16 O14 . C2 H F3 O2
pro_molWeight
1323.43

basic_info

Product_Name: ABZ-LYS-ALA-ARG-VAL-NLE-P-NITRO-PHE-GLU-ALA-NLE-NH2 TRIFLUOROACETATE SALT
EnglishSynonyms: ABZ-LYS-ALA-ARG-VAL-NLE-P-NITRO-PHE-GLU-ALA-NLE-NH2 TRIFLUOROACETATE SALT ; ANTHRANILYL-HIV PROTEASE SUBSTRATE IV TRIFLUOROACETATE SALT
pro_mdlNumber: MFCD18782109
pro_acceptors: 30
pro_donors: 16
pro_smile: CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(cc1)[N+](=O)[O-])NC(=O)[C@H](CCCC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)c2ccccc2N.C(=O)(C(F)(F)F)O
InChi: InChI=1S/C56H88N16O14.C2HF3O2/c1-7-9-18-38(46(59)75)65-47(76)32(5)64-51(80)42(26-27-44(73)74)68-54(83)43(30-34-22-24-35(25-23-34)72(85)86)70-52(81)39(19-10-8-2)69-55(84)45(31(3)4)71-53(82)41(21-15-29-62-56(60)61)66-48(77)33(6)63-50(79)40(20-13-14-28-57)67-49(78)36-16-11-12-17-37(36)58;3-2(4,5)1(6)7/h11-12,16-17,22-25,31-33,38-43,45H,7-10,13-15,18-21,26-30,57-58H2,1-6H3,(H2,59,75)(H,63,79)(H,64,80)(H,65,76)(H,66,77)(H,67,78)(H,68,83)(H,69,84)(H,70,81)(H,71,82)(H,73,74)(H4,60,61,62);(H,6,7)/t32-,33-,38-,39-,40-,41-,42-,43-,45-;/m0./s1
InChiKey: InChIKey=QSWZPEWYFIRFKP-VGASFLTKSA-N

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