[(4R,6R,7S,8R)-7-methoxy-12-methyl-10,13-dioxo-11-(4-sulfanylanilino)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Basic information
- CAS
84397-37-5- Standard SMILES
CO[C@@]12[C@@H]3N[C@@H]3CN1C1=C(C(=O)C(Nc3ccc(S)cc3)=C(C)C1=O)[C@@H]2COC(N)=O- InChIKey
IDYGHCRZJFWISR-PGDDNOQISA-N- Molecular formula
- C21H22N4O5S
- Average molar mass
- 442.5 g/mol
- Monoisotopic mass
- 442.13109099
Names & identifiers
- Preferred name
- [(4R,6R,7S,8R)-7-methoxy-12-methyl-10,13-dioxo-11-(4-sulfanylanilino)-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-(4-sulfanylanilino)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Names & synonyms
NSC33237484397-37-5DTXSID60318517NSC-332374[(1aR,8R,8aS,8bR)-8a-Methoxy-5-methyl-4,7-dioxo-6-(4-sulfanylanilino)-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
84397-37-5- PubChem CID
- 332859
- DTXSID
DTXSID60318517
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 925
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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