Nazwa analitu

Melittin Trifluoroacetic Acid Salt

Numer CAS

37231-28-0

Wzór cząsteczkowy

C131H229N39O31 . x(C 2HF3O2)

Masa cząsteczkowa

2846.5

SMILES

N=C(N)NCCC[C@H](NC([C@H](CCCCN)NC([C@H](CCCNC(N)=N)NC([C@H](CCCCN)NC([C@H]([C@@H](C)CC)NC([C@H](CC1=CNC2=C1C=CC=C2)NC([C@H](CO)NC([C@H]([C@@H](C)CC)NC([C@H](CC(C)C)NC([C@H](C)NC([C@H]3N(CCC3)C([C@@H](CC(C)C)NC(CNC([C@@H]([C@H](C)O)NC([C@@H]([C@H](C)O)NC([C@@H](CC(C)C)NC([C@@H](C(C)C)NC([C@@H](CCCCN)NC([C@@H](CC(C)C)NC([C@@H](C(C)C)NC([C@@H](C)NC(CNC([C@@H]([C@H](C)CC)NC(CN)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCC(N)=O)C(N)=O)=O)=O.FC(F)(C(O)=O)F

InChI

InChI=1S/C131H229N39O31.C2HF3O2/c1-23-71(16)102(163-97(176)60-135)122(194)146-62-98(177)148-74(19)109(181)164-100(69(12)13)124(196)160-88(55-65(4)5)116(188)155-84(41-30-33-51-134)115(187)165-101(70(14)15)125(197)161-90(57-67(8)9)118(190)168-106(77(22)173)128(200)169-105(76(21)172)123(195)147-63-99(178)150-92(58-68(10)11)129(201)170-54-36-44-94(170)121(193)149-75(20)108(180)158-89(56-66(6)7)117(189)166-104(73(18)25-3)127(199)162-93(64-171)120(192)159-91(59-78-61-145-80-38-27-26-37-79(78)80)119(191)167-103(72(17)24-2)126(198)157-83(40-29-32-50-133)111(183)154-85(42-34-52-143-130(139)140)112(184)152-82(39-28-31-49-132)110(182)153-86(43-35-53-144-131(141)142)113(185)156-87(46-48-96(137)175)114(186)151-81(107(138)179)45-47-95(136)174;3-2(4,5)1(6)7/h26-27,37-38,61,65-77,81-94,100-106,145,171-173H,23-25,28-36,39-60,62-64,132-135H2,1-22H3,(H2,136,174)(H2,137,175)(H2,138,179)(H,146,194)(H,147,195)(H,148,177)(H,149,193)(H,150,178)(H,151,186)(H,152,184)(H,153,182)(H,154,183)(H,155,188)(H,156,185)(H,157,198)(H,158,180)(H,159,192)(H,160,196)(H,161,197)(H,162,199)(H,163,176)(H,164,181)(H,165,187)(H,166,189)(H,167,191)(H,168,190)(H,169,200)(H4,139,140,143)(H4,141,142,144);(H,6,7)/t71-,72+,73+,74-,75+,76+,77+,81+,82+,83+,84-,85+,86+,87+,88-,89+,90-,91+,92-,93+,94+,100-,101-,102-,103+,104+,105-,106-;/m1./s1

IUPAC

(S)-2-((S)-2-((S)-6-amino-2-((S)-2-((S)-6-amino-2-((2S,3S)-2-((S)-2-((S)-2-((2S,3S)-2-((S)-2-((S)-2-((S)-1-(glycyl-D-isoleucylglycyl-D-alanyl-D-valyl-D-leucyl-D-lysyl-D-valyl-D-leucyl-D-threonyl-D-threonylglycyl-D-leucyl)pyrrolidine-2-carboxamido)propanamido)-4-methylpentanamido)-3-methylpentanamido)-3-hydroxypropanamido)-3-(1H-indol-3-yl)propanamido)-3-methylpentanamido)hexanamido)-5-guanidinopentanamido)hexanamido)-5-guanidinopentanamido)-N1-((S)-1,5-diamino-1,5-dioxopentan-2-yl)pentanediamide, 2,2,2-trifluoroacetate salt

Temperatura przechowywania

-20°C

Temperatura podczas transportu

Room Temperature

Kraj pochodzenia

CANADA

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