32a-Gly-calcitonin (Salmon) Trifluoroacetic Acid

Analyte Name

32a-Gly-calcitonin (Salmon) Trifluoroacetic Acid

Molecular Formula

C147H242N44O50S2 . x C2HF3O2

SMILES

OC(C=C1)=CC=C1C[C@H](NC([C@H]([C@H](O)C)NC([C@H](CCC(N)=O)NC([C@H](CC(C)C)NC([C@H](CCCCN)NC([C@@H](NC([C@H](CC(C)C)NC([C@H](CCC(O)=O)NC([C@H](CCC(N)=O)NC([C@H](CO)NC([C@H](CC(C)C)NC([C@H](CCCCN)NC(CNC([C@H](CC(C)C)NC([C@H](C(C)C)NC([C@H]2NC([C@](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CSSC2)N)=O)CO)=O)CC(N)=O)=O)CC(C)C)=O)CO)=O)([H])[C@H](O)C)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)CC3=CN=CN3)=O)=O)=O)=O)=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(NCC(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O

InChI

InChI=1S/C147H242N44O50S2/c1-66(2)45-87(177-141(236)112(71(11)12)185-137(232)100-64-243-242-63-80(150)118(213)180-97(60-193)135(230)176-93(52-105(153)204)132(227)174-91(49-70(9)10)130(225)182-99(62-195)136(231)189-116(75(16)199)144(239)183-100)119(214)159-55-107(206)164-81(25-18-20-40-148)121(216)171-90(48-69(7)8)129(224)181-98(61-194)134(229)169-84(34-37-103(151)202)123(218)167-86(36-39-110(209)210)124(219)173-89(47-68(5)6)128(223)175-92(51-78-54-157-65-163-78)131(226)166-82(26-19-21-41-149)122(217)172-88(46-67(3)4)127(222)168-85(35-38-104(152)203)126(221)188-115(74(15)198)143(238)179-95(50-77-30-32-79(201)33-31-77)145(240)190-43-24-29-102(190)139(234)170-83(27-22-42-158-147(155)156)125(220)187-114(73(14)197)142(237)178-94(53-106(154)205)133(228)186-113(72(13)196)140(235)161-56-108(207)165-96(59-192)120(215)160-57-109(208)184-117(76(17)200)146(241)191-44-23-28-101(191)138(233)162-58-111(211)212/h30-33,54,65-76,80-102,112-117,192-201H,18-29,34-53,55-64,148-150H2,1-17H3,(H2,151,202)(H2,152,203)(H2,153,204)(H2,154,205)(H,157,163)(H,159,214)(H,160,215)(H,161,235)(H,162,233)(H,164,206)(H,165,207)(H,166,226)(H,167,218)(H,168,222)(H,169,229)(H,170,234)(H,171,216)(H,172,217)(H,173,219)(H,174,227)(H,175,223)(H,176,230)(H,177,236)(H,178,237)(H,179,238)(H,180,213)(H,181,224)(H,182,225)(H,183,239)(H,184,208)(H,185,232)(H,186,228)(H,187,220)(H,188,221)(H,189,231)(H,209,210)(H,211,212)(H4,155,156,158)/t72-,73-,74-,75-,76-,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,112+,113+,114+,115+,116+,117+/m1/s1

Alternate CAS Number

115472-96-3

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat