HIS-SER-ASP-ALA-VAL-PCL-PHE-THR-ASP-ASN-TYR-THR-ARG-LEU-ARG-LYS-GLN-LEU-ALA-VAL-LYS-LYS-TYR-LEU-ASN-SER-ILE-LEU-ASN-NH2

102805-45-8

MFCD00133956

C148 H239 Cl N44 O42

3342.24

InChI=1S/C148H239ClN44O42/c1-19-75(14)116(144(233)184-98(55-72(8)9)132(221)175-94(119(158)208)60-109(155)201)191-141(230)107(67-195)188-136(225)103(62-111(157)203)181-133(222)97(54-71(6)7)178-134(223)99(57-81-35-41-85(198)42-36-81)179-126(215)89(29-21-24-48-151)170-124(213)90(30-22-25-49-152)173-142(231)114(73(10)11)189-120(209)76(15)167-129(218)95(52-69(2)3)176-128(217)93(45-46-108(154)200)172-123(212)88(28-20-23-47-150)169-125(214)91(31-26-50-164-147(159)160)171-131(220)96(53-70(4)5)177-127(216)92(32-27-51-165-148(161)162)174-145(234)117(78(17)196)192-138(227)100(58-82-37-43-86(199)44-38-82)180-135(224)102(61-110(156)202)182-137(226)105(64-113(206)207)186-146(235)118(79(18)197)193-139(228)101(56-80-33-39-83(149)40-34-80)185-143(232)115(74(12)13)190-121(210)77(16)168-130(219)104(63-112(204)205)183-140(229)106(66-194)187-122(211)87(153)59-84-65-163-68-166-84/h33-44,65,68-79,87-107,114-118,194-199H,19-32,45-64,66-67,150-153H2,1-18H3,(H2,154,200)(H2,155,201)(H2,156,202)(H2,157,203)(H2,158,208)(H,163,166)(H,167,218)(H,168,219)(H,169,214)(H,170,213)(H,171,220)(H,172,212)(H,173,231)(H,174,234)(H,175,221)(H,176,217)(H,177,216)(H,178,223)(H,179,215)(H,180,224)(H,181,222)(H,182,226)(H,183,229)(H,184,233)(H,185,232)(H,186,235)(H,187,211)(H,188,225)(H,189,209)(H,190,210)(H,191,230)(H,192,227)(H,193,228)(H,204,205)(H,206,207)(H4,159,160,164)(H4,161,162,165)/t75-,76-,77-,78+,79+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101+,102-,103-,104-,105-,106-,107-,114-,115-,116-,117-,118-/m0/s1

InChIKey=BUTRVBZATBJGPP-BERWWWERSA-N

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc3ccc(cc3)Cl)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4c[nH]cn4)N

pro_donors:51

pro_acceptors:86

XLogP3:0.0

Bulk/Fine:F

3