[125I][MePhe7]NKB   Click here for help

GtoPdb Ligand ID: 3763

Synonyms: [125I]-[MePhe7]neurokinin A | [125I]-[MePhe7]NKB
 Ligand is labelled  Ligand is radioactive
2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES CSCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N)CCSC)CC(C)C)Cc1ccc(cc1)C)Cc1ccccc1)Cc1ccccc1)CC(=O)O)Cc1nc[nH]c1)NC(=O)C(CC(=O)O)N
Isomeric SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(C)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O
InChI InChI=1S/C60H81N13O14S2/c1-34(2)24-43(56(83)67-41(52(62)79)20-22-88-4)66-49(74)32-64-54(81)44(27-38-18-16-35(3)17-19-38)69-57(84)45(25-36-12-8-6-9-13-36)70-58(85)46(26-37-14-10-7-11-15-37)71-60(87)48(30-51(77)78)73-59(86)47(28-39-31-63-33-65-39)72-55(82)42(21-23-89-5)68-53(80)40(61)29-50(75)76/h6-19,31,33-34,40-48H,20-30,32,61H2,1-5H3,(H2,62,79)(H,63,65)(H,64,81)(H,66,74)(H,67,83)(H,68,80)(H,69,84)(H,70,85)(H,71,87)(H,72,82)(H,73,86)(H,75,76)(H,77,78)/t40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
InChI Key KMFPXKZQAUGUIY-UILVTTEASA-N
Classification Click here for help
Compound class Peptide or derivative
Synonyms Click here for help
[125I]-[MePhe7]neurokinin A | [125I]-[MePhe7]NKB
Database Links Click here for help
GtoPdb PubChem SID 178100614
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