H-GLU-LEU-ASP-[(2R,4S,5S)-5-AMINO-4-HYDROXY-2,7-DIMETHYL-OCTANOYL]-VAL-GLU-PHE-GLY-GLY-D-ARG-D-ARG-D-ARG-D-ARG-D-ARG-D-ARG-D-ARG-D-ARG-D-ARG-OH

527674-72-2

MFCD08702759

C102 H183 N45 O26

2455.86

InChI=1S/C102H183N45O26/c1-51(2)44-67(143-91(170)70(48-76(155)156)146-90(169)68(45-52(3)4)144-79(158)56(103)31-33-74(151)152)71(148)46-54(7)78(157)147-77(53(5)6)92(171)141-65(32-34-75(153)154)89(168)145-69(47-55-20-9-8-10-21-55)80(159)132-49-72(149)131-50-73(150)133-57(22-11-35-122-94(104)105)81(160)134-58(23-12-36-123-95(106)107)82(161)135-59(24-13-37-124-96(108)109)83(162)136-60(25-14-38-125-97(110)111)84(163)137-61(26-15-39-126-98(112)113)85(164)138-62(27-16-40-127-99(114)115)86(165)139-63(28-17-41-128-100(116)117)87(166)140-64(29-18-42-129-101(118)119)88(167)142-66(93(172)173)30-19-43-130-102(120)121/h8-10,20-21,51-54,56-71,77,148H,11-19,22-50,103H2,1-7H3,(H,131,149)(H,132,159)(H,133,150)(H,134,160)(H,135,161)(H,136,162)(H,137,163)(H,138,164)(H,139,165)(H,140,166)(H,141,171)(H,142,167)(H,143,170)(H,144,158)(H,145,168)(H,146,169)(H,147,157)(H,151,152)(H,153,154)(H,155,156)(H,172,173)(H4,104,105,122)(H4,106,107,123)(H4,108,109,124)(H4,110,111,125)(H4,112,113,126)(H4,114,115,127)(H4,116,117,128)(H4,118,119,129)(H4,120,121,130)/t54-,56+,57-,58-,59-,60-,61-,62-,63-,64-,65+,66-,67+,68+,69+,70+,71+,77+/m1/s1

InChIKey=NFKBFAHKRIOTPW-RYWZPGJFSA-N

CC(C)C[C@@H]([C@H](C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)N

pro_donors:50

pro_acceptors:71

XLogP3:0.0

Bulk/Fine:F