Basic information
- CAS
7173-27-5- Standard SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.c1ccc(CNCc2ccccc2)cc1- InChIKey
UPYLDHVPOPTZGP-LQDWTQKMSA-N- Molecular formula
- C30H33N3O4S
- Average molar mass
- 531.7 g/mol
- Monoisotopic mass
- 531.21917772
Names & identifiers
- Preferred name
- 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-(2S,5R,6R)-, compd. with N-(phenylmethyl)benzenemethanamine
- IUPAC
- N-benzyl-1-phenylmethanamine;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Names & synonyms
Penicillin G dibenzylamine7179-52-4DTXSID20222005RefChem:1071627DTXCID80144496230-542-54-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-(2S,5R,6R)-, compd. with N-(phenylmethyl)benzenemethanamineDIBENZYLAMINE PENICILLIN GPenicillin G, dibenzylamine saltAF5F3C86Z17173-27-5Dibenzylamine penicillin G dibenzylamine penicillin G salt
Show more names
EINECS 230-542-5Penicillin G dibenzylaminsalz [German]Penicillin G dibenzylaminsalzUNII-AF5F3C86Z1(2S-(2alpha,5alpha,6beta))-3,3-Dimethyl-7-oxo-6-((phenylacetyl)amino)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, compound with dibenzylamineQ27273903(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid--N-benzyl-1-phenylmethanamine (1/1)
Database identifiers
- CAS
7173-27-5、7179-52-4- PubChem CID
- 197868
- DTXSID
DTXSID20222005
Properties
Computed structural properties
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 667
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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