乙酸,(((2-氨基-6-苯并噻唑基)磺酰)氨基)羰基-, ((4-nitr ophenyl)methylene)酰肼

139601-96-0

MFCD01939578

C47 H57 N7 O11

896.005

InChI=1S/C47H57N7O11/c1-28-22-35-44(61)48-30(3)42(59)49-31(4)45(62)54-26-29(2)23-36(54)47(64)65-27-34(46(63)53(35)25-28)51-43(60)33(24-32-16-12-11-13-17-32)50-39(57)18-14-9-7-5-6-8-10-15-19-40(58)52-41-37(55)20-21-38(41)56/h5-19,28-31,33-36,55H,20-27H2,1-4H3,(H,48,61)(H,49,59)(H,50,57)(H,51,60)(H,52,58)/b6-5+,9-7+,10-8+,18-14+,19-15+/t28-,29-,30+,31+,33+,34+,35+,36+/m1/s1

InChIKey=WIFZPRIZXYTISY-GTZZBLSHSA-N

C[C@@H]1C[C@H]2C(=O)OC[C@@H](C(=O)N3C[C@@H](C[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N2C1)C)C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)/C=C/C=C/C=C/C=C/C=C/C(=O)NC5=C(CCC5=O)O

pro_donors:6

pro_acceptors:18

XLogP3:1.0

Bulk/Fine:F