Synonyms:
Agitoxin 2
Appearance:
Melting point:
Boiling point:
Flash point:
Storage:
Store in 2-8°C for long term (months)
Smiles:
O=C(N[C@@H](C(C)C)C(N1[C@@H](CCC1)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CC(N)=O)C(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CSSC[C@@H](C(N[C@@H](CCCCN)C(N[C@@H](CC(O)=O)C(N[C@@H](C)C(NCC(N[C@@H](CCSC)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC2=CC=CC=C2)C(NCC(N[C@@H](CCCCN)C(N[C@@H](CSSC[C@@H](C(N[C@@H]([C@H](O)C)C(N3[C@@H](CCC3)C(N[C@@H](CCCCN)C(O)=O)=O)=O)=O)NC4=O)C(N[C@@H](CCSC)C(N[C@@H](CC(N)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@H]5CCCCN)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)NC6=O)C(N[C@@H]([C@H](O)C)C(NCC(N[C@@H](CO)C(N7[C@@H](CCC7)C(N[C@@H](CCC(N)=O)C(N[C@@H](CSSC[C@@H](C(N[C@H]4CC8=CNC=N8)=O)NC5=O)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CCCCN)C(N9[C@H]6CCC9)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)CN
Inchi:
InChI=1S/C169H278N54O48S8/c1-14-86(7)130-161(264)200-101(40-22-27-55-173)163(266)220-59-31-45-117(220)157(260)213-112-79-276-278-81-114(212-148(251)108(75-224)207-160(263)128(84(3)4)215-147(250)106(68-122(178)230)206-162(265)131(87(8)15-2)217-158(261)119-47-34-61-222(119)165(268)129(85(5)6)214-123(231)70-175)153(256)218-132(89(10)226)159(262)188-74-126(234)193-109(76-225)164(267)221-60-32-44-116(221)155(258)199-98(48-49-120(176)228)141(244)210-113(152(255)216-130)80-277-275-78-111-151(254)203-104(66-92-71-183-83-189-92)145(248)211-115(154(257)219-133(90(11)227)166(269)223-62-33-46-118(223)156(259)201-102(167(270)271)41-23-28-56-174)82-279-274-77-110(149(252)198-100(51-64-273-13)143(246)204-105(67-121(177)229)146(249)196-96(42-29-57-184-168(179)180)137(240)194-95(140(243)209-111)39-21-26-54-172)208-136(239)93(37-19-24-52-170)191-125(233)73-187-135(238)103(65-91-35-17-16-18-36-91)202-139(242)97(43-30-58-185-169(181)182)195-142(245)99(50-63-272-12)192-124(232)72-186-134(237)88(9)190-144(247)107(69-127(235)236)205-138(241)94(197-150(112)253)38-20-25-53-171/h16-18,35-36,71,83-90,93-119,128-133,224-227H,14-15,19-34,37-70,72-82,170-175H2,1-13H3,(H2,176,228)(H2,177,229)(H2,178,230)(H,183,189)(H,186,237)(H,187,238)(H,188,262)(H,190,247)(H,191,233)(H,192,232)(H,193,234)(H,194,240)(H,195,245)(H,196,249)(H,197,253)(H,198,252)(H,199,258)(H,200,264)(H,201,259)(H,202,242)(H,203,254)(H,204,246)(H,205,241)(H,206,265)(H,207,263)(H,208,239)(H,209,243)(H,210,244)(H,211,248)(H,212,251)(H,213,260)(H,214,231)(H,215,250)(H,216,255)(H,217,261)(H,218,256)(H,219,257)(H,235,236)(H,270,271)(H4,179,180,184)(H4,181,182,185)/t86-,87-,88-,89+,90+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,128-,129-,130-,131-,132-,133-/m0/s1
InchiKey:
HAVXQYWFNURMCP-OFZOPSLBSA-N
