[(4R,6R,7S,8R)-11-(3-hydroxyanilino)-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
75491-89-3- Standard SMILES
CO[C@@]12[C@@H]3N[C@@H]3CN1C1=C(C(=O)C(Nc3cccc(O)c3)=C(C)C1=O)[C@@H]2COC(N)=O- InChIKey
UFJKIIYWDWNGRE-PGDDNOQISA-N- Molecular formula
- C21H22N4O6
- Average molar mass
- 426.4 g/mol
- Monoisotopic mass
- 426.15393443
Names & identifiers
- Preferred name
- [(4R,6R,7S,8R)-11-(3-hydroxyanilino)-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-(3-hydroxyanilino)-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
NSC36415675491-89-3DTXSID20320777NSC-364156[(1aR,8R,8aS,8bR)-6-(3-Hydroxyanilino)-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 carbamateAzirino[2',4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-6-[(3-hydroxyphenyl)amino]-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]-1,1a,2,8,8a,8b-hexahydro-6[(3-hydroxyphenyl)amino]-8a-methoxy-5-methyl, [1aR-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-
Database identifiers
- CAS
75491-89-3- PubChem CID
- 339138
- DTXSID
DTXSID20320777
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 929
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Compound notes
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