β-CGRP, human acetate
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β-CGRP, human acetate

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β-CGRP, human acetate, is a calcitonin peptide that acts through a complex of receptor-activity-modifying protein (RAMP) and calcitonin receptor-like receptor (CRLR) with IC50s of 1 and 300 nM for CRLR/RAMP1 and CRLR/RAMP2 in cells, respectively.

Category
Peptide Inhibitors
Catalog number
BAT-016442
Molecular Formula
C164H271N51O50S3
Molecular Weight
3853.46
β-CGRP, human acetate
IUPAC Name
acetic acid;(2S)-N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(4R,7S,10S,13S,16S,19R)-16-(2-amino-2-oxoethyl)-19-[[(2S)-2-aminopropanoyl]amino]-7,13-bis[(1R)-1-hydroxyethyl]-10-methyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]butanediamide
Synonyms
H-Ala-Cys-Asn-Thr-Ala-Thr-Cys-Val-Thr-His-Arg-Leu-Ala-Gly-Leu-Leu-Ser-Arg-Ser-Gly-Gly-Met-Val-Lys-Ser-Asn-Phe-Val-Pro-Thr-Asn-Val-Gly-Ser-Lys-Ala-Phe-NH2.CH3CO2H (Disulfide bridge: Cys2-Cys7); L-alanyl-L-cysteinyl-L-asparagyl-L-threonyl-L-alanyl-L-threonyl-L-cysteinyl-L-valyl-L-threonyl-L-histidyl-L-arginyl-L-leucyl-L-alanyl-glycyl-L-leucyl-L-leucyl-L-seryl-L-arginyl-L-seryl-glycyl-glycyl-L-methionyl-L-valyl-L-lysyl-L-seryl-L-asparagyl-L-phenylalanyl-L-valyl-L-prolyl-L-threonyl-L-asparagyl-L-valyl-glycyl-L-seryl-L-lysyl-L-alanyl-L-phenylalaninamide (2->7)-disulfide acetate
Related CAS
101462-82-2 (free base)
Purity
≥95%
Sequence
ACNTATCVTHRLAGLLSRSGGMVKSNFVPTNVGSKAF-NH2.CH3CO2H (Disulfide bridge: Cys2-Cys7)
Storage
Store at -20°C
InChI
InChI=1S/C162H267N51O48S3.C2H4O2/c1-74(2)53-98(186-118(227)65-178-130(231)82(16)182-139(240)99(54-75(3)4)193-135(236)94(43-34-49-175-161(170)171)188-142(243)102(58-91-62-174-73-181-91)198-158(259)127(88(22)221)212-155(256)122(79(11)12)207-151(252)111-72-264-263-71-110(203-129(230)81(15)165)150(251)197-104(60-114(167)223)146(247)210-124(85(19)218)156(257)184-84(18)132(233)209-125(86(20)219)159(260)204-111)140(241)194-100(55-76(5)6)141(242)202-108(69-216)148(249)190-95(44-35-50-176-162(172)173)137(238)200-106(67-214)133(234)179-63-116(225)177-64-117(226)185-96(46-52-262-23)138(239)206-121(78(9)10)154(255)191-93(42-31-33-48-164)136(237)201-109(70-217)149(250)196-103(59-113(166)222)143(244)195-101(57-90-39-28-25-29-40-90)144(245)208-123(80(13)14)160(261)213-51-36-45-112(213)152(253)211-126(87(21)220)157(258)199-105(61-115(168)224)145(246)205-120(77(7)8)153(254)180-66-119(228)187-107(68-215)147(248)189-92(41-30-32-47-163)134(235)183-83(17)131(232)192-97(128(169)229)56-89-37-26-24-27-38-89;1-2(3)4/h24-29,37-40,62,73-88,92-112,120-127,214-221H,30-36,41-61,63-72,163-165H2,1-23H3,(H2,166,222)(H2,167,223)(H2,168,224)(H2,169,229)(H,174,181)(H,177,225)(H,178,231)(H,179,234)(H,180,254)(H,182,240)(H,183,235)(H,184,257)(H,185,226)(H,186,227)(H,187,228)(H,188,243)(H,189,248)(H,190,249)(H,191,255)(H,192,232)(H,193,236)(H,194,241)(H,195,244)(H,196,250)(H,197,251)(H,198,259)(H,199,258)(H,200,238)(H,201,237)(H,202,242)(H,203,230)(H,204,260)(H,205,246)(H,206,239)(H,207,252)(H,208,245)(H,209,233)(H,210,247)(H,211,253)(H,212,256)(H4,170,171,175)(H4,172,173,176);1H3,(H,3,4)/t81-,82-,83-,84-,85+,86+,87+,88+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,120-,121-,122-,123-,124-,125-,126-,127-;/m0./s1
InChI Key
PLYWWWWPMONOLF-RYZBVDOXSA-N
Canonical SMILES
CC1C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)O)CC(=O)N)NC(=O)C(C)N)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(CC2=CNC=N2)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NCC(=O)NCC(=O)NC(CCSC)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(C(C)C)C(=O)N4CCCC4C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CC5=CC=CC=C5)C(=O)N)C(C)O.CC(=O)O
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