N-benzyl-1-phenylmethanamine;3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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Basic information
- Standard SMILES
CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O.c1ccc(CNCc2ccccc2)cc1- InChIKey
UPYLDHVPOPTZGP-UHFFFAOYSA-N- Molecular formula
- C30H33N3O4S
- Average molar mass
- 531.7 g/mol
- Monoisotopic mass
- 531.21917772
Names & identifiers
- Preferred name
- N-benzyl-1-phenylmethanamine;3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- IUPAC
- N-benzyl-1-phenylmethanamine;3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Database identifiers
- PubChem CID
- 23557
Properties
Computed structural propertiesFilling in
- 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
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Compound notes
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