Tyr-α-CGRP (human) | CAS No. 124756-98-5

S1C[C@@H](C(N[C@H](C(N[C@@H]([C@@H](C)O)C(N[C@@H](CC2=CNC=N2)C(N[C@H](C(N[C@H](C(N[C@@H](C)C(NCC(N[C@H](C(N[C@H](C(N[C@@H](CO)C(N[C@H](C(N[C@@H](CO)C(NCC(NCC(N[C@@H](C(C)C)C(N[C@@H](C(C)C)C(N[C@@H](CCCCN)C(N[C@@H](CC(N)=O)C(N[C@@H](CC(N)=O)C(N[C@@H](CC2C=CC=CC=2)C(N[C@@H](C(C)C)C(N2CCC[C@H]2C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N)=O)CC2C=CC=CC=2)=O)C)=O)CCCCN)=O)CO)=O)=O)C(C)C)=O)CC(N)=O)=O)[C@@H](C)O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)CCCNC(=N)N)=O)=O)CC(C)C)=O)CC(C)C)=O)=O)=O)CC(C)C)=O)CCCNC(=N)N)=O)=O)=O)C(C)C)=O)NC([C@H]([C@@H](C)O)NC([C@H](C)NC([C@H]([C@@H](C)O)NC([C@H](CC(=O)O)NC([C@H](CS1)NC([C@H](C)NC([C@H](CC1C=CC(=CC=1)O)N)=O)=O)=O)=O)=O)=O)=O.FC(C(=O)O)(F)F

InChI

1S/C172H276N52O51S2.C2HF3O2/c1-78(2)56-105(196-124(237)70-188-138(243)86(17)193-148(253)106(57-79(3)4)203-146(251)102(44-35-53-185-171(180)181)198-151(256)109(62-97-67-184-77-191-97)209-168(273)136(93(24)231)223-165(270)131(84(13)14)217-160(265)118-76-277-276-75-117(213-140(245)87(18)192-142(247)99(175)59-96-47-49-98(232)50-48-96)159(264)208-113(66-127(240)241)156(261)221-133(90(21)228)166(271)195-89(20)141(246)220-134(91(22)229)169(274)214-118)149(254)204-107(58-80(5)6)150(255)212-116(74-227)158(263)200-103(45-36-54-186-172(182)183)147(252)211-114(72-225)143(248)189-68-123(236)187-69-126(239)215-129(82(9)10)164(269)218-130(83(11)12)163(268)201-101(43-32-34-52-174)145(250)206-110(63-120(176)233)153(258)207-111(64-121(177)234)152(257)205-108(61-95-40-29-26-30-41-95)154(259)219-132(85(15)16)170(275)224-55-37-46-119(224)161(266)222-135(92(23)230)167(272)210-112(65-122(178)235)155(260)216-128(81(7)8)162(267)190-71-125(238)197-115(73-226)157(262)199-100(42-31-33-51-173)144(249)194-88(19)139(244)202-104(137(179)242)60-94-38-27-25-28-39-94;3-2(4,5)1(6)7/h25-30,38-41,47-50,67,77-93,99-119,128-136,225-232H,31-37,42-46,51-66,68-76,173-175H2,1-24H3,(H2,176,233)(H2,177,234)(H2,178,235)(H2,179,242)(H,184,191)(H,187,236)(H,188,243)(H,189,248)(H,190,267)(H,192,247)(H,193,253)(H,194,249)(H,195,271)(H,196,237)(H,197,238)(H,198,256)(H,199,262)(H,200,263)(H,201,268)(H,202,244)(H,203,251)(H,204,254)(H,205,257)(H,206,250)(H,207,258)(H,208,264)(H,209,273)(H,210,272)(H,211,252)(H,212,255)(H,213,245)(H,214,274)(H,215,239)(H,216,260)(H,217,265)(H,218,269)(H,219,259)(H,220,246)(H,221,261)(H,222,266)(H,223,270)(H,240,241)(H4,180,181,185)(H4,182,183,186);(H,6,7)/t86-,87-,88-,89-,90+,91+,92+,93+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,128-,129-,130-,131-,132-,133-,134-,135-,136-;/m0./s1

InChIKey

PFCQLQFAXACYAJ-XAGUUDLSSA-N

LogP

-20.92036000000033

Topological Polar Surface Area

1707.2499999999989 Ų

Hydrogen Bond Donor/Acceptor

69 / 105

Complexity

9530