(2R,3S)-4-({N-[(2R,4R)-2,4-Dimethyloctanoyl]-N-methyl-L-leucyl}amino)-3-{[(2S)-1-{(2S,4S)-4-hydroxy-2-[(2S)-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-1-carbonyl]pyrrolidin-1-yl}-3-methyl-1-oxobutan-2-yl](methyl)amino}-4-oxobutan-2-yl acetate
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Basic information
- CAS
141205-31-4- Standard SMILES
CCCC[C@@H](C)C[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)NC(=O)[C@H]([C@@H](C)OC(C)=O)N(C)[C@H](C(=O)N1C[C@@H](O)C[C@H]1C(=O)N1C(=O)C=C[C@@H]1C)C(C)C- InChIKey
LFFWFYBOECMGHL-PLBHUYDJSA-N- Molecular formula
- C39H65N5O9
- Average molar mass
- 748 g/mol
- Monoisotopic mass
- 747.47822867
Overview
Microcolin A has been reported in Lyngbya majuscula with data available.
Names & identifiers
- Preferred name
- (2R,3S)-4-({N-[(2R,4R)-2,4-Dimethyloctanoyl]-N-methyl-L-leucyl}amino)-3-{[(2S)-1-{(2S,4S)-4-hydroxy-2-[(2S)-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-1-carbonyl]pyrrolidin-1-yl}-3-methyl-1-oxobutan-2-yl](methyl)amino}-4-oxobutan-2-yl acetate
- IUPAC
- [(2R,3S)-4-[[(2S)-2-[[(2R,4R)-2,4-dimethyloctanoyl]-methylamino]-4-methylpentanoyl]amino]-3-[[(2S)-1-[(2S,4S)-4-hydroxy-2-[(2S)-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-oxobutan-2-yl] acetate
- English name
- microcolin A
- Molecular formula
- C39H65N5O9
- Molecular weight
- 747.969
Names & synonyms
(2R,3S)-4-({N-[(2R,4R)-2,4-Dimethyloctanoyl]-N-methyl-L-leucyl}amino)-3-{[(2S)-1-{(2S,4S)-4-hydroxy-2-[(2S)-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-1-carbonyl]pyrrolidin-1-yl}-3-methyl-1-oxobutan-2-yl](methyl)amino}-4-oxobutan-2-yl acetatemicrocolin A
Database identifiers
- CAS
141205-31-4- PubChem CID
- 5489469
- DTXSID
DTXSID50161599
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 19
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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