[125I]exendin-(9-39)   Click here for help

GtoPdb Ligand ID: 1137

Synonyms: [125I]exendin (9-39)
 Ligand is labelled  Ligand is radioactive
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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)NCC(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C(=O)O)CO)C)CO)CO)CC(=O)N)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)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(CC(=O)O)N)CC(C)C)CO)CCCCN)CCC(=O)N)CCSC)CCC(=O)O)CCC(=O)O)CCC(=O)O)C)CCCN=C(N)N)CC(C)C)Cc1ccccc1)CCC(=O)O)CC(C)C
Isomeric SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O
InChI InChI=1S/C149H233N39O48S/c1-14-78(10)120(184-138(225)98(62-81-29-16-15-17-30-81)176-135(222)97(61-76(6)7)174-128(215)88(35-24-53-157-149(155)156)171-143(230)119(77(8)9)183-121(208)79(11)163-125(212)90(41-46-114(198)199)167-130(217)91(42-47-115(200)201)168-131(218)92(43-48-116(202)203)169-133(220)94(50-58-237-13)170-129(216)89(40-45-109(153)193)166-126(213)86(33-20-22-51-150)165-139(226)102(71-190)180-136(223)95(59-74(2)3)173-122(209)84(152)64-118(206)207)144(231)172-93(44-49-117(204)205)132(219)177-99(63-82-66-158-85-32-19-18-31-83(82)85)137(224)175-96(60-75(4)5)134(221)164-87(34-21-23-52-151)127(214)178-100(65-110(154)194)123(210)160-67-111(195)159-69-113(197)185-54-25-36-105(185)141(228)181-103(72-191)140(227)179-101(70-189)124(211)161-68-112(196)162-80(12)145(232)187-56-27-38-107(187)147(234)188-57-28-39-108(188)146(233)186-55-26-37-106(186)142(229)182-104(73-192)148(235)236/h15-19,29-32,66,74-80,84,86-108,119-120,158,189-192H,14,20-28,33-65,67-73,150-152H2,1-13H3,(H2,153,193)(H2,154,194)(H,159,195)(H,160,210)(H,161,211)(H,162,196)(H,163,212)(H,164,221)(H,165,226)(H,166,213)(H,167,217)(H,168,218)(H,169,220)(H,170,216)(H,171,230)(H,172,231)(H,173,209)(H,174,215)(H,175,224)(H,176,222)(H,177,219)(H,178,214)(H,179,227)(H,180,223)(H,181,228)(H,182,229)(H,183,208)(H,184,225)(H,198,199)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H,235,236)(H4,155,156,157)/t78-,79-,80-,84-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,119-,120-/m0/s1
InChI Key QTIZTYRRFLYILO-MVNVRWBSSA-N
Classification Click here for help
Compound class Peptide or derivative
Synonyms Click here for help
[125I]exendin (9-39)
Database Links Click here for help
GtoPdb PubChem SID 135652515
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