ABZ-GLU-THR-LEU-PHE-GLN-GLY-PRO-VAL-P-NITRO-PHE-NH2

396096-53-0

MFCD00237109

C57 H77 N13 O16

1200.31

InChI=1S/C57H77N13O16/c1-30(2)26-41(66-57(84)48(32(5)71)68-52(79)39(22-24-46(74)75)62-50(77)36-14-9-10-15-37(36)58)53(80)65-42(28-33-12-7-6-8-13-33)54(81)63-38(21-23-44(59)72)51(78)61-29-45(73)69-25-11-16-43(69)55(82)67-47(31(3)4)56(83)64-40(49(60)76)27-34-17-19-35(20-18-34)70(85)86/h6-10,12-15,17-20,30-32,38-43,47-48,71H,11,16,21-29,58H2,1-5H3,(H2,59,72)(H2,60,76)(H,61,78)(H,62,77)(H,63,81)(H,64,83)(H,65,80)(H,66,84)(H,67,82)(H,68,79)(H,74,75)/t32-,38+,39+,40+,41+,42+,43+,47+,48+/m1/s1

InChIKey=BWXYJXDWKAFFJM-WPHAKBTQSA-N

CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccc(cc3)[N+](=O)[O-])C(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)c4ccccc4N

pro_donors:13

pro_acceptors:29

XLogP3:0.0

Bulk/Fine:F