Basic information
- CAS
143458-86-0- Standard SMILES
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC1C=NC=N1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O- InChIKey
NCIJIHOWBUDKGT-DEKUHJIYSA-N- Molecular formula
- C58H86N16O15
- Average molar mass
- 1,247.4 g/mol
- Monoisotopic mass
- 1,246.6458561
Overview
myoinhibiting neuropeptide from the grey fleshfly, Neobellieria bullata & Drosophila
Names & identifiers
- Preferred name
- Neomyosuppressin
- IUPAC
- (3S)-3-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
- English name
- neomyosuppressin
- Molecular formula
- C58H86N16O15
- Molecular weight
- 1247.42
Names & synonyms
NeomyosuppressinDromyosuppressin143458-86-0Neb-MSLeucomyosuppressin, 1-L-threonine-Thr-asp-val-asp-his-val-phe-leu-arg-phenh2Threonyl-aspartyl-valyl-aspartyl-histidyl-valyl-phenylalanyl-leucyl-arginyl-phenylalanine amideRefChem:165312DTXCID301778500(3S)-3-(((2S,3R)-2-amino-3-hydroxybutanoyl)amino)-4-(((2S)-1-(((2S)-1-(((2S)-1-(((2S)-1-(((2S)-1-(((2S)-1-(((2S)-1-(((2S)-1-amino-1-oxo-3-phenylpropan-2-yl)amino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl)amino)-3-carboxy-1-oxopropan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)amino)-4-oxobutanoic acidDTXSID901349488L-Phenylalaninamide, L-threonyl-L-α-aspartyl-L-valyl-L-α-aspartyl-L-histidyl-L-valyl-L-phenylalanyl-L-leucyl-L-arginyl-
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- -3.8
- Topological polar surface area
- 515 Ų
- Hydrogen bond donors
- 16
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 38
- Heavy atoms
- 89
- Formal charge
- 0
- Complexity
- 2,530
Physicochemical properties
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 4.14 · 4.14±0.10(Predicted)
Chemistry & industry
Applications
DescriptionNeomyosuppressin is a myoinhibiting neuropeptide from the grey fleshfly, Neobellieria bullata & Drosophila.
Suppliers2 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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