HIS-ALA-ASP-GLY-VAL-PHE-THR-SER-ASP-PHE-SER-LYS-LEU-LEU-GLY-GLN-LEU-SER-ALA-LYS-LYS-TYR-LEU-GLU-SER-LEU-MET-NH2

118025-43-7 ;87403-73-4

MFCD00133766

C135 H214 N34 O40 S

2985.44

InChI=1S/C135H214N34O40S/c1-68(2)49-89(155-124(198)92(52-71(7)8)156-118(192)86(35-25-28-47-138)152-131(205)100(64-171)166-127(201)94(54-77-29-19-17-20-30-77)161-128(202)98(59-108(183)184)162-133(207)102(66-173)167-135(209)110(76(15)174)169-129(203)96(55-78-31-21-18-22-32-78)163-134(208)109(73(11)12)168-105(178)62-144-116(190)97(58-107(181)182)154-113(187)74(13)146-114(188)82(139)57-80-60-142-67-145-80)115(189)143-61-104(177)148-87(40-42-103(140)176)120(194)157-93(53-72(9)10)125(199)165-99(63-170)130(204)147-75(14)112(186)150-84(33-23-26-45-136)117(191)151-85(34-24-27-46-137)119(193)160-95(56-79-36-38-81(175)39-37-79)126(200)158-91(51-70(5)6)123(197)153-88(41-43-106(179)180)121(195)164-101(65-172)132(206)159-90(50-69(3)4)122(196)149-83(111(141)185)44-48-210-16/h17-22,29-32,36-39,60,67-76,82-102,109-110,170-175H,23-28,33-35,40-59,61-66,136-139H2,1-16H3,(H2,140,176)(H2,141,185)(H,142,145)(H,143,189)(H,144,190)(H,146,188)(H,147,204)(H,148,177)(H,149,196)(H,150,186)(H,151,191)(H,152,205)(H,153,197)(H,154,187)(H,155,198)(H,156,192)(H,157,194)(H,158,200)(H,159,206)(H,160,193)(H,161,202)(H,162,207)(H,163,208)(H,164,195)(H,165,199)(H,166,201)(H,167,209)(H,168,178)(H,169,203)(H,179,180)(H,181,182)(H,183,184)/t74-,75-,76+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,109-,110-/m0/s1

InChIKey=YLBIOQUUAYXLJJ-WZUUGAJWSA-N

CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc4c[nH]cn4)N

pro_donors:42

pro_acceptors:74

XLogP3:0.0

Bulk/Fine:F