[(4R,6R,7S,8R)-11-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-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
88854-60-8- Standard SMILES
CO[C@@]12[C@@H]3N[C@@H]3CN1C1=C(C(=O)C(Nc3nc(C)c(C)s3)=C(C)C1=O)[C@@H]2COC(N)=O- InChIKey
RKUOPJHLLZRLRA-ZVBGTCENSA-N- Molecular formula
- C20H23N5O5S
- Average molar mass
- 445.5 g/mol
- Monoisotopic mass
- 445.14199002
Names & identifiers
- Preferred name
- [(4R,6R,7S,8R)-11-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-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-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-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
88854-60-8NSC347783NSC-347783
Database identifiers
- CAS
88854-60-8- PubChem CID
- 335876
- DTXSID
DTXSID40319582
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 950
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Compound notes
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