N-(Benzoyloxy)-2-[N-(benzoyloxy)carbamimidoyl]-3-methylpentanimidic acid
Basic information
- CAS
7253-29-4- Standard SMILES
CCC(C)C(C(=O)NOC(=O)c1ccccc1)/C(N)=N/OC(=O)c1ccccc1- InChIKey
SAMRUMKYXPVKPA-VFKOLLTISA-N- Molecular formula
- C21H23N3O5
- Average molar mass
- 397.4 g/mol
- Monoisotopic mass
- 397.16377084
Names & identifiers
- Preferred name
- N-(Benzoyloxy)-2-[N-(benzoyloxy)carbamimidoyl]-3-methylpentanimidic acid
- IUPAC
- [[2-[(Z)-N'-benzoyloxycarbamimidoyl]-3-methylpentanoyl]amino] benzoate
- English name
- ENOCITABINE
- Molecular formula
- C31H55N3O6
- Molecular weight
- 565.7849
Names & synonyms
NSC60185DTXSID80916796NSC-6018593974-11-9N-(Benzoyloxy)-2-[N-(benzoyloxy)carbamimidoyl]-3-methylpentanimidic acid7253-29-4EnocitabinumBrn 0772101EnocitabinaEnocitabinum [inn-latin]Enocitabina [inn-spanish]Docosanamide, N-(1-beta-D-arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)-
Database identifiers
- CAS
7253-29-4、93974-11-9- PubChem CID
- 9561552
- DTXSID
DTXSID80916796
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 595
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…