Basic information
- CAS
896442-33-4- Standard SMILES
CCCCNc1ccc(C(=O)OCCN(C)C)c(OC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)Cc4ccccc4)[C@H]3SC2(C)C)c1- InChIKey
VXPAPUHHMRQMGM-FULLSBAXSA-N- Molecular formula
- C31H40N4O6S
- Average molar mass
- 596.7 g/mol
- Monoisotopic mass
- 596.26685618
Names & identifiers
- Preferred name
- 5-(Butylamino)-2-[[2-(dimethylamino)ethoxy]carbonyl]phenyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- IUPAC
- [5-(butylamino)-2-[2-(dimethylamino)ethoxycarbonyl]phenyl] (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Names & synonyms
DTXSID5010995585-(Butylamino)-2-[[2-(dimethylamino)ethoxy]carbonyl]phenyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate896442-33-4
Database identifiers
- CAS
896442-33-4- PubChem CID
- 165366263
- DTXSID
DTXSID501099558
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 15
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 971
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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