[(4R,6R,7S,8R)-7-methoxy-12-methyl-10,13-dioxo-11-(2-pyrrolidin-1-ylethylamino)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Basic information
- CAS
83586-87-2- Standard SMILES
CO[C@@]12[C@@H]3N[C@@H]3CN1C1=C(C(=O)C(NCCN3CCCC3)=C(C)C1=O)[C@@H]2COC(N)=O- InChIKey
OHFVQOCCASKYQK-PGDDNOQISA-N- Molecular formula
- C21H29N5O5
- Average molar mass
- 431.5 g/mol
- Monoisotopic mass
- 431.21686904
Names & identifiers
- Preferred name
- [(4R,6R,7S,8R)-7-methoxy-12-methyl-10,13-dioxo-11-(2-pyrrolidin-1-ylethylamino)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
- IUPAC
- [(4R,6R,7S,8R)-7-methoxy-12-methyl-10,13-dioxo-11-(2-pyrrolidin-1-ylethylamino)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Names & synonyms
NSC33623983586-87-2DTXSID30318802NSC-336239[(1aR,8R,8aS,8bR)-8a-Methoxy-5-methyl-4,7-dioxo-6-{[2-(pyrrolidin-1-yl)ethyl]amino}-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamateAzirino[2',4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-6-[[2-(1-pyrrolidinyl)ethyl]amino]-, [1aR-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-
Database identifiers
- CAS
83586-87-2- PubChem CID
- 333631
- DTXSID
DTXSID30318802
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 908
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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