Clavamine
Basic information
- CAS
129121-68-2- Standard SMILES
C[C@H](NCCCCNCCC(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O)C(=O)NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)N- InChIKey
VRIUOZAEZDNGTN-HRNNMHKYSA-N- Molecular formula
- C35H60N12O9
- Average molar mass
- 792.9 g/mol
- Monoisotopic mass
- 792.46062154
Overview
Clavamine has been reported in Trichonephila clavata with data available.
Names & identifiers
- Preferred name
- Clavamine
- IUPAC
- (2S)-N-[5-[3-[4-[[(2S)-1-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-1-oxopropan-2-yl]amino]butylamino]propanoylamino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide
- English name
- clavamine
- Molecular formula
- C35H60N12O9
- Molecular weight
- 792.93
Names & synonyms
ClavamineClavamin129121-68-2DTXSID60156077(2S)-N-[5-[3-[4-[[(2S)-1-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-1-oxopropan-2-yl]amino]butylamino]propanoylamino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamideN-(2,4-Dihydroxyphenylacetyl-L-asparaginyl)-N'-(N-(L-arginyl-glycyl-L-alanyl)-8-amino-4-azaoctanoyl)-1,5-pentanediamine(2S)-N-(5-(3-(4-(((2S)-1-((2-(((2S)-2-amino-5-(diaminomethylideneamino)pentanoyl)amino)acetyl)amino)-1-oxopropan-2-yl)amino)butylamino)propanoylamino)pentyl)-2-((2-(2,4-dihydroxyphenyl)acetyl)amino)butanediamideRefChem:126818DTXCID2078568(S)-L-Arginylglycyl-N-(17-(2-amino-2-oxoethyl)-20-(2,4-dihydroxyphenyl)-8,16,19-trioxo-5,9,15,18-tetraazaeicos-1-yl)-L-alaninamideL-Alaninamide, L-arginylglycyl-N-(17-(2-amino-2-oxoethyl)-20-(2,4-dihydroxyphenyl)-8,16,19-trioxo-5,9,15,18-tetraazaeicos-1-yl)-, (S)-N~5~-(Diaminomethylidene)-L-ornithyl-N-[(2S)-2-({4-[(3-{[5-({N~2~-[(2,4-dihydroxyphenyl)acetyl]-L-asparaginyl}amino)pentyl]amino}-3-oxopropyl)amino]butyl}amino)propanoyl]glycinamide
Properties
Computed structural properties
- XLogP
- -4
- Topological polar surface area
- 361 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 29
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,280
Physicochemical properties
- Density
- 1.404 · 1.404±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.53 · 9.530±0.35(predicted)
Chemistry & industry
Applications
DescriptionClavamine is the main insecticidal component in venom of Nephila clavata.
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Related reactions
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Compound notes
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