CID 23570
Basic information
- CAS
7179-55-7- Standard SMILES
CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O.CCN(CC)CCOC(=O)c1ccc(N)cc1Cl- InChIKey
BYMRPIPIFHDRKX-UHFFFAOYSA-N- Molecular formula
- C29H37ClN4O6S
- Average molar mass
- 605.1 g/mol
- Monoisotopic mass
- 604.2122338
Names & identifiers
- Preferred name
- CID 23570
- IUPAC
- 2-(diethylamino)ethyl 4-amino-2-chlorobenzoate;3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Names & synonyms
7179-55-7AC1L2MMQDTXSID202747462-(diethylamino)ethyl 4-amino-2-chlorobenzoate;3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid3,3-Dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid--2-(diethylamino)ethyl 4-amino-2-chlorobenzoate (1/1)
Database identifiers
- CAS
7179-55-7- PubChem CID
- 23570
- DTXSID
DTXSID20274746
Properties
Computed structural properties
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 790
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…