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Basic information
- CAS
14769-02-9- Standard SMILES
CCCCCNC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(OC)C3NC3CN21- InChIKey
XQRNPXLHNAGHEJ-WXRBLJGGSA-N- Molecular formula
- C20H28N4O5
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.20597001
Names & identifiers
- Preferred name
- [(8S,8aR)-8a-Methoxy-5-methyl-4,7-dioxo-6-(pentylamino)-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate
- IUPAC
- [(7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-(pentylamino)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Names & synonyms
DTXSID40933186[(8S,8aR)-8a-Methoxy-5-methyl-4,7-dioxo-6-(pentylamino)-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate[8a-Methoxy-5-methyl-4,7-dioxo-6-(pentylamino)-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate
Database identifiers
- CAS
14769-02-9- PubChem CID
- 26877
- DTXSID
DTXSID40933186
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 835
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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