Basic information
- CAS
118890-42-9- Standard SMILES
CCCC[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.CCCC[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
LKOJXCYSXSJOKD-GFDRACFDSA-N- Molecular formula
- C54H76N4O18
- Average molar mass
- 1,069.2 g/mol
- Monoisotopic mass
- 1,068.51546159
Names & identifiers
- Preferred name
- Antimycin A3 methyl ether FH-25
- IUPAC
- [(2R,3S,6S,7R,8R)-8-butyl-3-[(3-formamido-2-methoxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylbutanoate;[(2R,3S,6S,7R,8R)-8-butyl-3-[(3-formamido-2-methoxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate
Names & synonyms
NCI60_041055118890-42-9Antimycin A3 methyl ether FH-25CHEMBL1978883DTXSID70425145NSC719664NSC-719664(2R,3S,6S,7R,8R)-8-Butyl-3-(3-formamido-2-methoxybenzamido)-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 2-methylbutanoate--(2R,3S,6S,7R,8R)-8-butyl-3-(3-formamido-2-methoxybenzamido)-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate (1/1)
Database identifiers
- CAS
118890-42-9- PubChem CID
- 6712909
- DTXSID
DTXSID70425145- ChEMBL
CHEMBL1978883
Properties
Computed structural properties
- Topological polar surface area
- 293 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 22
- Heavy atoms
- 76
- Formal charge
- 0
- Complexity
- 1,670
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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