O-Methyl antimycin A1
Basic information
- CAS
118890-38-3- Standard SMILES
CCCCCC[C@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2OC)C(=O)O[C@@H](C)[C@@H]1OC(=O)C(C)CC.CCCCCC[C@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2OC)C(=O)O[C@@H](C)[C@@H]1OC(=O)CC(C)C- InChIKey
XEQUXGIRPDFUEY-SMBJCLKESA-N- Molecular formula
- C58H84N4O18
- Average molar mass
- 1,125.3 g/mol
- Monoisotopic mass
- 1,124.57806184
Names & identifiers
- Preferred name
- O-Methyl antimycin A1
- IUPAC
- [(2R,3S,6S,7R,8R)-3-[(3-formamido-2-methoxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylbutanoate;[(2R,3S,6S,7R,8R)-3-[(3-formamido-2-methoxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate
Names & synonyms
O-Methyl antimycin A1NSC721381CHEMBL1984553NSC-721381118890-38-3
Database identifiers
- CAS
118890-38-3- PubChem CID
- 404835
- ChEMBL
CHEMBL1984553
Properties
Computed structural properties
- Topological polar surface area
- 293 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 26
- Heavy atoms
- 80
- Formal charge
- 0
- Complexity
- 1,730
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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