Basic information
- CAS
4049-28-9- Standard SMILES
CCOC(=O)N1C2CN3C4=C(C(=O)C(N)=C(C)C4=O)[C@@H](COC(N)=O)[C@@]3(OC)C21- InChIKey
OOVOKOKGEDWERS-KGOMGJPGSA-N- Molecular formula
- C18H22N4O7
- Average molar mass
- 406.4 g/mol
- Monoisotopic mass
- 406.14884905
Names & identifiers
- Preferred name
- Ethyl (8S,8aR)-6-amino-8-{[hydroxy(imino)methoxy]methyl}-8a-methoxy-5-methyl-4,7-dioxo-1a,4,7,8,8a,8b-hexahydroazirino[2',3':3,4]pyrrolo[1,2-a]indole-1(2H)-carboxylate
- IUPAC
- ethyl (7R,8S)-11-amino-8-(carbamoyloxymethyl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-diene-5-carboxylate
Names & synonyms
DTXSID40960871Ethyl (8S,8aR)-6-amino-8-{[hydroxy(imino)methoxy]methyl}-8a-methoxy-5-methyl-4,7-dioxo-1a,4,7,8,8a,8b-hexahydroazirino[2',3':3,4]pyrrolo[1,2-a]indole-1(2H)-carboxylateEthyl 6-amino-8-{[hydroxy(imino)methoxy]methyl}-8a-methoxy-5-methyl-4,7-dioxo-1a,4,7,8,8a,8b-hexahydroazireno[2',3':3,4]pyrrolo[1,2-a]indole-1(2H)-carboxylate
Database identifiers
- CAS
4049-28-9- PubChem CID
- 19964
- DTXSID
DTXSID40960871
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 910
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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