[(4R,6R,7S,8R)-11-(furan-2-ylmethylamino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Basic information
- CAS
78152-96-2- Standard SMILES
CO[C@@]12[C@@H]3N[C@@H]3CN1C1=C(C(=O)C(NCc3ccco3)=C(C)C1=O)[C@@H]2COC(N)=O- InChIKey
QFDMVJVKSRQXDD-XBHLMJSLSA-N- Molecular formula
- C20H22N4O6
- Average molar mass
- 414.4 g/mol
- Monoisotopic mass
- 414.15393443
Names & identifiers
- Preferred name
- [(4R,6R,7S,8R)-11-(furan-2-ylmethylamino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
- IUPAC
- [(4R,6R,7S,8R)-11-(furan-2-ylmethylamino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Names & synonyms
NSC-32820878152-96-2Azirino[2',4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-6-[(2-furanylmethyl)amino]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, (1aR-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.))-Azirino[2',4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-6-[(2-furanylmethyl)amino]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, [1aR-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-NSC328208DTXSID30318281[(1aR,8R,8aS,8bR)-6-{[(Furan-2-yl)methyl]amino}-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate
Database identifiers
- CAS
78152-96-2- PubChem CID
- 332222
- DTXSID
DTXSID30318281
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 898
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Compound notes
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