Structure via PubChem · Public domain (PubChem)
neurokinin B
Sign in to saveAlso known as H-Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2
chemical compound
In the Vinony graph
Vinony's link graph records 141 inbound references to neurokinin B, and connects out to orexin, Dynorphin A (1-13) and International Standard Book Number.
It sits within the topics Chembox image size set, Decapeptides and Neuropeptides.
Vinony links it to 9 Wikipedia language editions.
Chemical data
- Formula
- C55H79N13O14S2
- Molecular weight
- 1210.4 g/mol
- IUPAC name
- 3-amino-4-[[1-[[1-[[1-[[1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
- SMILES
- CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(=O)O)NC(=O)C(CC3=CN=CN3)NC(=O)C(CCSC)NC(=O)C(CC(=O)O)N
- InChIKey
- NHXYSAFTNPANFK-UHFFFAOYSA-N
- XLogP
- -1.6
- Polar surface area
- 485 Ų
- H-bond donors
- 14
- H-bond acceptors
- 18
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Protein
via ChEMBL · EBI
Research
1,865 papersvia PubMed
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 1209.531086
Show 4 more facts
- chemical formula
- C₅₅H₇₉N₁₃O₁₄S₂
- canonical SMILES
- CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(=O)O)NC(=O)C(CC3=CN=CN3)NC(=O)C(CCSC)NC(=O)C(CC(=O)O)N
- subject has role
- neurotransmitter
- isomeric SMILES
- CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O
Sources (2)
via Wikidata · CC0
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