3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;N,N'-dioctylethane-1,2-diamine
Basic information
- CAS
10075-34-0- Standard SMILES
CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O.CCCCCCCCNCCNCCCCCCCC- InChIKey
JXCHATDHCVOGSA-UHFFFAOYSA-N- Molecular formula
- C34H58N4O4S
- Average molar mass
- 618.9 g/mol
- Monoisotopic mass
- 618.41787752
Names & identifiers
- Preferred name
- 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;N,N'-dioctylethane-1,2-diamine
- IUPAC
- 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;N,N'-dioctylethane-1,2-diamine
Names & synonyms
10075-34-0DTXSID50712787NSC72844NSC-728443,3-Dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid--N~1~,N~2~-dioctylethane-1,2-diamine (1/1)
Database identifiers
- CAS
10075-34-0- PubChem CID
- 54599503
- DTXSID
DTXSID50712787
Properties
Computed structural properties
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 21
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 672
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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