Nikkomycin J
Basic information
- CAS
77368-59-3- Standard SMILES
CC(C(N)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)O)C1OC(n2ccc(=O)[nH]c2=O)C(O)C1O)C(O)c1ccc(O)cn1- InChIKey
JGINXUGXMDDSJF-UHFFFAOYSA-N- Molecular formula
- C25H32N6O13
- Average molar mass
- 624.6 g/mol
- Monoisotopic mass
- 624.2027351
Overview
Nikkomycin J has been reported in Streptomyces tendae with data available.
Names & identifiers
- Preferred name
- Nikkomycin J
- IUPAC
- 2-[[2-[[2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methylbutanoyl]amino]-2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]pentanedioic acid
- English name
- Nikkomycin J
- Molecular formula
- C25H32N6O13
- Molecular weight
- 624.55
Names & synonyms
Nikkomycin J77368-59-32-[[2-[[2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]pentanedioic acid2-((2-((2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl)amino)-2-(5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)acetyl)amino)pentanedioic acidRefChem:165909BRN 5212471orb1701869SCHEMBL29663661AKOS040747211DA-66097L-Glutamic acid, N-(L-2-(5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)tetrahydro-3,4-dihydroxy-2-furanyl)-N-((3S,4S)-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-L-valyl)glycyl)-, (2R-(2alpha,3beta,4beta,5alpha))-L-Glutamic acid, N-(L-2-(5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)tetrahydro-3,4-dihydroxy-2-furanyl)-N-((3S,4S)-4-hydroxy-4-(5-hydroxy-2-pyrimidinyl)-L-valyl)glycyl)-, (2R-(2-alpha,3-beta,4-beta,5-alpha))-
Show more names
L-Glutamic acid, (3S,4S)-4-(5-hydroxy-2-pyridinyl)-3-methyl-L-homoseryl-(6R)-2-amino-3,6-anhydro-2-deoxy-6-C-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-L-allonoyl-
Properties
Computed structural properties
- XLogP
- -6.3
- Topological polar surface area
- 311 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 13
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,150
Physicochemical properties
- Density
- 1.625 · 1.625±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.061 · 3.061±0.10(predicted)
Chemistry & industry
Applications
DescriptionNikkomycin J is an insecticide solated from Streptomyces tendae.
UsesNikkomycin J is an active compound. Nikkomycin J can be used for various researches[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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