Methyl 2-[[3-acetyloxy-2-[[9-[[3-acetyloxy-1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-1-oxobutan-2-yl]carbamoyl]-8-amino-4,6-dimethyl-7-oxophenoxazine-1-carbonyl]amino]butanoyl]amino]-3-methylbutanoate
Basic information
- CAS
66682-45-9- Standard SMILES
COC(=O)C(NC(=O)C(NC(=O)c1c2nc3c(C(=O)NC(C(=O)NC(C(=O)OC)C(C)C)C(C)OC(C)=O)ccc(C)c3oc-2c(C)c(=O)c1N)C(C)OC(C)=O)C(C)C- InChIKey
GQTDBQIBBFMULZ-UHFFFAOYSA-N- Molecular formula
- C40H52N6O14
- Average molar mass
- 840.9 g/mol
- Monoisotopic mass
- 840.35415035
Names & identifiers
- Preferred name
- Methyl 2-[[3-acetyloxy-2-[[9-[[3-acetyloxy-1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-1-oxobutan-2-yl]carbamoyl]-8-amino-4,6-dimethyl-7-oxophenoxazine-1-carbonyl]amino]butanoyl]amino]-3-methylbutanoate
- IUPAC
- methyl 2-[[3-acetyloxy-2-[[9-[[3-acetyloxy-1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-1-oxobutan-2-yl]carbamoyl]-8-amino-4,6-dimethyl-7-oxophenoxazine-1-carbonyl]amino]butanoyl]amino]-3-methylbutanoate
Names & synonyms
66682-45-9NSC266103NSC-266103
Database identifiers
- CAS
66682-45-9- PubChem CID
- 429871
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 286 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 20
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,850
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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