Nazwa analitu

Des-22-Tyr-calcitonin (Salmon) Trifluoroacetate Salt

Wzór cząsteczkowy

C136H231N43O46S2 • x C2HF3O2

Masa cząsteczkowa

3382.7

SMILES

NC([C@H]1N(CCC1)[Thr]C(CNC([C@H](CO)NC(CN[Thr]C([C@H](CC(N)=O)N[Thr]C([C@H](CCCNC(N)=N)NC([C@H]2N(CCC2)[Thr]C([C@H](CCC(N)=O)N[Leu]C([C@H](CCCCN)NC([C@@H](N[Leu]C([C@H](CCC(O)=O)NC([C@H](CCC(N)=O)NC([C@H](CO)N[Leu]C([C@H](CCCCN)NC(CN[Leu][Val]C([C@H]3N[Thr]C([C@H](CO)N[Leu]C([C@H](CC(N)=O)NC([C@H](CO)NC([C@H](CSSC3)N[H])=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)CC4=CN=CN4)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O.O=C(O)C(F)(F)F

InChI

InChI=1S/C136H231N43O46S2.C2HF3O2/c1-60(2)41-80(164-163-77(30-33-95(140)190)112(202)126(216)107(70(17)188)177-179-40-24-29-93(179)135(225)157-75(27-22-38-148-136(145)146)111(201)124(214)104(67(14)185)174-168-84(48-98(143)193)118(208)123(213)103(66(13)184)173-152-52-100(195)154-88(54-181)129(219)149-50-94(189)121(211)106(69(16)187)176-178-39-23-28-92(178)127(144)217)115(205)109(199)74(26-19-21-37-138)155-131(221)86(46-71-49-147-59-150-71)169-165-81(42-61(3)4)116(206)110(200)76(32-35-101(196)197)156-130(220)78(31-34-96(141)191)158-134(224)90(56-183)171-167-82(43-62(5)6)114(204)108(198)73(25-18-20-36-137)153-99(194)51-151-162-85(45-64(9)10)132(222)161-102(65(11)12)122(212)120(210)91-58-227-226-57-72(139)128(218)160-89(55-182)133(223)159-79(47-97(142)192)113(203)117(207)83(44-63(7)8)166-170-87(53-180)119(209)125(215)105(68(15)186)175-172-91;3-2(4,5)1(6)7/h49,59-70,72-93,102-107,151-152,162-177,180-188H,18-48,50-58,137-139H2,1-17H3,(H2,140,190)(H2,141,191)(H2,142,192)(H2,143,193)(H2,144,217)(H,147,150)(H,149,219)(H,153,194)(H,154,195)(H,155,221)(H,156,220)(H,157,225)(H,158,224)(H,159,223)(H,160,218)(H,161,222)(H,196,197)(H4,145,146,148);(H,6,7)/t66-,67-,68-,69-,70-,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,102+,103?,104?,105?,106?,107?;/m1./s1

IUPAC

(3S,6S,12S,15S,18S,21S,24S)-1-((4R,10S,13S,16S,19S,22R)-22-amino-16-(2-amino-2-oxoethyl)-7-((R)-1-hydroxyethyl)-10,19-bis(hydroxymethyl)-13-isobutyl-8,9,14,15,18,21-hexaoxo-1,2-dithia-5,6,11,12,17,20-hexaazacyclotricosan-4-yl)-21-(3-amino-3-oxopropyl)-24-((3S)-3-(2-((2S)-1-(((5S,8S)-1-amino-8-(2-((4S,8R)-1-amino-7-(((2S)-2-(((6S,12S,21S,28R)-1-amino-12-(2-amino-2-oxoethyl)-27-(((S)-2-carbamoylpyrrolidin-1-yl)amino)-28-hydroxy-9,15-bis((R)-1-hydroxyethyl)-21-(hydroxymethyl)-1-imino-7,8,13,14,19,22,25,26-octaoxo-2,10,11,16,17,20,23-heptaazanonacosan-6-yl)carbamoyl)pyrrolidin-1-yl)amino)-8-hydroxy-1,5,6-trioxononan-4-yl)hydrazineyl)-10-methyl-6,7-dioxoundecan-5-yl)amino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl)hydrazineyl)-5-methyl-2-oxohexanoyl)-12-(4-aminobutyl)-18-(hydroxymethyl)-6,15-diisobutyl-3-isopropyl-1,2,5,10,13,14,19,22-octaoxo-4,7,8,11,16,17,20,23-octaazaheptacosan-27-oic acid--2,2,2-trifluoroacetic acid (1/1)

Temperatura przechowywania

-20°C

Temperatura podczas transportu

Room Temperature

Kraj pochodzenia

CANADA

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