PTH-(1-34) (rat)   Click here for help

GtoPdb Ligand ID: 4449

Comment: Synthesised N-terminal fragment of rat PTH
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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)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccccc1)CC(=O)N)Cc1nc[nH]c1)C(C)C)CC(=O)O)CCC(=O)N)CC(C)C)CCCCN)CCCCN)CCCN=C(N)N)CC(C)C)Cc1c[nH]c2c1cccc2)CCC(=O)N)CCSC)CCCN=C(N)N)CCC(=O)O)C(C)C)CO)C)CC(C)C)Cc1nc[nH]c1)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(N)C)CO)CCC(=O)O)CCC(=O)N)CC(C)C)CCSC)Cc1nc[nH]c1)CC(=O)N)CC(C)C
Isomeric SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)C(C)C
InChI InChI=1S/C180H291N55O48S2/c1-23-96(18)145(235-160(264)115(50-55-140(246)247)212-172(276)131(83-236)231-176(280)142(93(12)13)232-146(250)97(19)184)177(281)216-113(48-53-135(187)240)157(261)219-121(68-91(8)9)164(268)214-117(57-64-285-22)159(263)224-125(73-102-80-195-86-202-102)167(271)225-127(75-136(188)241)169(273)217-118(65-88(2)3)148(252)200-82-138(243)205-106(41-29-32-58-181)149(253)223-124(72-101-79-194-85-201-101)166(270)220-119(66-89(4)5)161(265)204-98(20)147(251)230-132(84-237)173(277)234-143(94(14)15)174(278)215-114(49-54-139(244)245)154(258)208-109(44-35-61-197-179(190)191)152(256)213-116(56-63-284-21)158(262)210-111(46-51-133(185)238)155(259)222-123(71-100-78-199-105-40-28-27-39-104(100)105)165(269)221-122(69-92(10)11)162(266)209-110(45-36-62-198-180(192)193)151(255)206-107(42-30-33-59-182)150(254)207-108(43-31-34-60-183)153(257)218-120(67-90(6)7)163(267)211-112(47-52-134(186)239)156(260)227-129(77-141(248)249)171(275)233-144(95(16)17)175(279)228-126(74-103-81-196-87-203-103)168(272)226-128(76-137(189)242)170(274)229-130(178(282)283)70-99-37-25-24-26-38-99/h24-28,37-40,78-81,85-98,106-132,142-145,199,236-237H,23,29-36,41-77,82-84,181-184H2,1-22H3,(H2,185,238)(H2,186,239)(H2,187,240)(H2,188,241)(H2,189,242)(H,194,201)(H,195,202)(H,196,203)(H,200,252)(H,204,265)(H,205,243)(H,206,255)(H,207,254)(H,208,258)(H,209,266)(H,210,262)(H,211,267)(H,212,276)(H,213,256)(H,214,268)(H,215,278)(H,216,281)(H,217,273)(H,218,257)(H,219,261)(H,220,270)(H,221,269)(H,222,259)(H,223,253)(H,224,263)(H,225,271)(H,226,272)(H,227,260)(H,228,279)(H,229,274)(H,230,251)(H,231,280)(H,232,250)(H,233,275)(H,234,277)(H,235,264)(H,244,245)(H,246,247)(H,248,249)(H,282,283)(H4,190,191,197)(H4,192,193,198)/t96-,97-,98-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,142-,143-,144-,145-/m0/s1
InChI Key QSJWQIQDNBBZSH-NEAXTQLLSA-N
Classification Click here for help
Compound class Peptide or derivative
Database Links Click here for help
GtoPdb PubChem SID 135652418
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