α-helical CRF   Click here for help

GtoPdb Ligand ID: 923

Synonyms: α-helical corticotropin | α-helical CRF (9-41) | alpha-helical CRF (9-41)
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C)CCC(=O)O)CCC(=O)O)CC(C)C)CC(C)C)CC(C)C)CCCN=C(N)N)CC(=O)N)CC(C)C)C)C)CCC(=O)N)CCC(=O)O)C)CCC(=O)O)CCC(=O)N)CCC(=O)O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(CC(=O)O)N)CC(C)C)Cc1ccccc1)Cc1nc[nH]c1)CC(C)C)CC(C)C)CCCN=C(N)N)CCC(=O)O)CCSC)CC(C)C)CCC(=O)O)CCSC)C
Isomeric SMILES CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)O
InChI InChI=1S/C166H273N45O54S2/c1-77(2)63-109(155(255)209-119(74-122(171)215)161(261)190-97(37-32-60-178-166(174)175)144(244)202-113(67-81(9)10)156(256)206-114(68-82(11)12)157(257)205-112(66-80(7)8)154(254)196-105(45-54-128(226)227)148(248)194-101(41-50-124(218)219)141(241)185-90(22)164(264)265)200-136(236)86(18)180-132(232)85(17)181-139(239)98(38-47-120(169)213)191-146(246)102(42-51-125(220)221)187-135(235)89(21)183-140(240)100(40-49-123(216)217)193-145(245)99(39-48-121(170)214)192-147(247)103(43-52-126(222)223)188-134(234)88(20)182-138(238)95(35-29-30-58-167)186-133(233)87(19)184-142(242)107(56-61-266-24)198-150(250)106(46-55-129(228)229)197-153(253)110(64-78(3)4)203-151(251)108(57-62-267-25)199-149(249)104(44-53-127(224)225)195-143(243)96(36-31-59-177-165(172)173)189-152(252)111(65-79(5)6)204-158(258)115(69-83(13)14)207-160(260)118(72-93-75-176-76-179-93)208-159(259)117(71-92-33-27-26-28-34-92)210-163(263)131(91(23)212)211-162(262)116(70-84(15)16)201-137(237)94(168)73-130(230)231/h26-28,33-34,75-91,94-119,131,212H,29-32,35-74,167-168H2,1-25H3,(H2,169,213)(H2,170,214)(H2,171,215)(H,176,179)(H,180,232)(H,181,239)(H,182,238)(H,183,240)(H,184,242)(H,185,241)(H,186,233)(H,187,235)(H,188,234)(H,189,252)(H,190,261)(H,191,246)(H,192,247)(H,193,245)(H,194,248)(H,195,243)(H,196,254)(H,197,253)(H,198,250)(H,199,249)(H,200,236)(H,201,237)(H,202,244)(H,203,251)(H,204,258)(H,205,257)(H,206,256)(H,207,260)(H,208,259)(H,209,255)(H,210,263)(H,211,262)(H,216,217)(H,218,219)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,264,265)(H4,172,173,177)(H4,174,175,178)/t85-,86-,87-,88-,89-,90-,91+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,131-/m0/s1
InChI Key TYEPJUPPTULOKD-GVKLFNHCSA-N
Classification Click here for help
Compound class Peptide or derivative
Synonyms Click here for help
α-helical corticotropin | α-helical CRF (9-41) | alpha-helical CRF (9-41)
Database Links Click here for help
GtoPdb PubChem SID 135651984
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