Basic information
- CAS
16910-69-3- Standard SMILES
CCCCC(=O)N1C2CN3C4=C(C(=O)C(N)=C(C)C4=O)[C@@H](COC(N)=O)[C@@]3(OC)C21- InChIKey
PUTWOBTUSZFNSN-HBAOGXRKSA-N- Molecular formula
- C20H26N4O6
- Average molar mass
- 418.4 g/mol
- Monoisotopic mass
- 418.18523456
Names & identifiers
- Preferred name
- (6-Amino-8a-methoxy-5-methyl-4,7-dioxo-1-pentanoyl-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl hydrogen carbonimidate
- IUPAC
- [(7R,8S)-11-amino-7-methoxy-12-methyl-10,13-dioxo-5-pentanoyl-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Names & synonyms
DTXSID10937590(6-Amino-8a-methoxy-5-methyl-4,7-dioxo-1-pentanoyl-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl hydrogen carbonimidate[(8S,8aR)-6-Amino-8a-methoxy-5-methyl-4,7-dioxo-1-pentanoyl-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate
Database identifiers
- CAS
16910-69-3- PubChem CID
- 28137
- DTXSID
DTXSID10937590
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 924
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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