H-tryptophyl-lysyl-glutaminyl-methionyl-seryl-valyl-tryptophylamide
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Basic information
- CAS
149636-89-5- Standard SMILES
CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)C(C)C- InChIKey
ZQWIXJGSXPNQQN-GURSNEKKSA-N- Molecular formula
- C46H66N12O9S
- Average molar mass
- 963.2 g/mol
- Monoisotopic mass
- 962.4796429
Overview
a neuromodulatory peptide from the ganglia of African giant snail, Achatina fulica
Names & identifiers
- Preferred name
- H-tryptophyl-lysyl-glutaminyl-methionyl-seryl-valyl-tryptophylamide
- IUPAC
- (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]pentanediamide
- English name
- H-tryptophyl-lysyl-glutaminyl-methionyl-seryl-valyl-tryptophylamide
- Molecular formula
- C46H66N12O9S
- Molecular weight
- 963.16
Names & synonyms
Wwamide-3149636-89-5H-Trp-lys-gln-met-ser-val-trp-NH2H-Tryptophyl-lysyl-glutaminyl-methionyl-seryl-valyl-tryptophylamideRefChem:922661L-Tryptophanamide, L-tryptophyl-L-lysyl-L-glutaminyl-L-methionyl-L-seryl-L-valyl-orb1986988HY-P2085AKOS040747585CS-0107990T26336(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]pentanediamide
Database identifiers
- CAS
149636-89-5- PubChem CID
- 44153545
Properties
Computed structural propertiesFilling in
- XLogP
- -0.3
- Topological polar surface area
- 390 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 29
- Heavy atoms
- 68
- Formal charge
- 0
- Complexity
- 1,710
Physicochemical properties
- Boiling point
- 1469.2 · 1469.2±65.0 °C(Predicted)
- Density
- 1.321 · 1.321±0.06 g/cm3(Predicted)
- pka
- 13.06 · 13.06±0.46(Predicted)
- Sequence
- 2 · Trp-Lys-Gln-Met-Ser-Val-Trp-NH2
Chemistry & industry
Applications
UsesWWamide-3 is a neuropeptide, which can be isolated form Achatina fulica. WWamide-3 inhibits the rhythmic contraction of anterior byssus retractor muscle (ABRM)[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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