Kassinin
Basic information
- CAS
63968-82-1- Standard SMILES
CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(N)=O)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)CC(=O)O)C(C)C)C(C)C)C(N)=O- InChIKey
NXTPETCPVNEEOP-UHFFFAOYSA-N- Molecular formula
- C59H95N15O18S
- Average molar mass
- 1,334.5 g/mol
- Monoisotopic mass
- 1,333.67002241
Overview
kassinin has been reported in Kassina senegalensis with data available.
Names & identifiers
- Preferred name
- Kassinin
- IUPAC
- 3-amino-4-[[1-[2-[[6-amino-1-[[1-[[1-[[5-amino-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]-1,5-dioxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
- English name
- Kassinin
- Molecular formula
- C59H95N15O18S
- Molecular weight
- 1334.54
Names & synonyms
KASSININ63968-82-1DTXSID50895029RefChem:389087DTXCID8013245883-amino-4-((1-(2-((6-amino-1-((1-((1-((5-amino-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)-1,5-dioxopentan-2-yl)amino)-3-carboxy-1-oxopropan-2-yl)amino)-3-hydroxy-1-oxopropan-2-yl)amino)-1-oxohexan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)amino)-4-oxobutanoic acid3-amino-4-((1-(2-((6-amino-1-((1-((1-((5-amino-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)-1,5-dioxopentan-2-yl)amino)-4-hydroxy-1,4-dioxobutan-2-yl)amino)-3-hydroxy-1-oxopropan-2-yl)amino)-1-oxohexan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)amino)-4-oxobutanoic acid9BOP147TRTGTPL2088SCHEMBL20639320BDBM81943
Properties
Computed structural properties
- XLogP
- -7.5
- Topological polar surface area
- 570 Ų
- Hydrogen bond donors
- 17
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 43
- Heavy atoms
- 93
- Formal charge
- 0
- Complexity
- 2,590
Physicochemical properties
- Density
- 1.305 · 1.305
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- Sequence
- 2 · Asp-Val-Pro-Lys-Ser-Asp-Gln-Phe-Val-Gly-Leu-Met-NH2
- FDA UNII
- 9 BOP147TRT · 9BOP147TRT
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances used for their pharmacological actions on any aspect of neurotransmitter systems. Neurotransmitter agents include agonists, antagonists, degradation inhibitors, uptake inhibitors, depleters, precursors, and modulators of receptor function.
Applications
UsesKassinin is a peptide derived from the Kassina frog. It belongs to tachykinin family of neuropeptides. It is secreted as a defense response, and is involved in neuropeptide signalling.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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