Nazwa analitu

Calcitonin C

Wzór cząsteczkowy

C145 H239 N43 O49 S2

Masa cząsteczkowa

3432.88

Dokładna masa

3430.7

SMILES

O=C(N[C@@H](CO)C(N[C@@H](CC(O)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CO)C(N[C@H]1[C@H](O)C)=O)=O)=O)=O)[C@H](CSSC[C@@H](C(N[C@@H](C(C)C)C(N[C@@H](CC(C)C)C(NCC(N[C@@H](CCCCN)C(N[C@@H](CC(C)C)C(N[C@@H](CO)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CC2=CNC=N2)C(N[C@@H](CCCCN)C(N[C@@H](CC(C)C)C(N[C@@H](CCC(N)=O)C(N[C@@H]([C@H](O)C)C(N[C@@H](CC3=CC=C(C=C3)O)C(N4[C@@H](CCC4)C(N[C@@H](CCCNC(N)=N)C(N[C@@H]([C@H](O)C)C(N[C@@H](CC(N)=O)C(N[C@@H]([C@H](O)C)C(NCC(N[C@@H](CO)C(NCC(N[C@@H]([C@H](O)C)C(N5[C@@H](CCC5)C(N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)NC1=O)N

InChI

InChI=1S/C145H239N43O49S2/c1-65(2)45-86(174-139(232)110(70(11)12)182-136(229)99-63-239-238-62-79(148)117(210)177-96(59-190)134(227)173-93(53-109(207)208)131(224)171-90(49-69(9)10)129(222)179-98(61-192)135(228)186-114(74(16)196)142(235)180-99)118(211)157-55-105(202)161-80(25-18-20-40-146)120(213)168-89(48-68(7)8)128(221)178-97(60-191)133(226)166-83(34-37-102(149)199)122(215)164-85(36-39-108(205)206)123(216)170-88(47-67(5)6)127(220)172-91(51-77-54-155-64-160-77)130(223)163-81(26-19-21-41-147)121(214)169-87(46-66(3)4)126(219)165-84(35-38-103(150)200)125(218)185-113(73(15)195)141(234)176-94(50-76-30-32-78(198)33-31-76)143(236)188-44-24-29-101(188)137(230)167-82(27-22-42-156-145(153)154)124(217)184-112(72(14)194)140(233)175-92(52-104(151)201)132(225)183-111(71(13)193)138(231)159-56-106(203)162-95(58-189)119(212)158-57-107(204)181-115(75(17)197)144(237)187-43-23-28-100(187)116(152)209/h30-33,54,64-75,79-101,110-115,189-198H,18-29,34-53,55-63,146-148H2,1-17H3,(H2,149,199)(H2,150,200)(H2,151,201)(H2,152,209)(H,155,160)(H,157,211)(H,158,212)(H,159,231)(H,161,202)(H,162,203)(H,163,223)(H,164,215)(H,165,219)(H,166,226)(H,167,230)(H,168,213)(H,169,214)(H,170,216)(H,171,224)(H,172,220)(H,173,227)(H,174,232)(H,175,233)(H,176,234)(H,177,210)(H,178,221)(H,179,222)(H,180,235)(H,181,204)(H,182,229)(H,183,225)(H,184,217)(H,185,218)(H,186,228)(H,205,206)(H,207,208)(H4,153,154,156)/t71-,72-,73-,74-,75-,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,110+,111+,112+,113+,114+,115+/m1/s1

IUPAC

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(3S,4R)-1-[(2S)-2-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[2-[[(2S,3R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-hydroxy-2-oxopentan-3-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(4R,7S,10S,13S,16S,19S,22R)-16-(2-amino-2-oxoethyl)-22-(hydroxyamino)-7-[(1R)-1-hydroxyethyl]-10,19-bis(hydroxymethyl)-13-(2-methylpropyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carbonyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid

Temperatura podczas transportu

Room Temperature

Kraj pochodzenia

CANADA

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