Basic information
- Standard SMILES
CC1(C)SC2C(NC(=O)C(NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2C1C(=O)O- InChIKey
JTWOMNBEOCYFNV-UHFFFAOYSA-N- Molecular formula
- C20H23N5O6S
- Average molar mass
- 461.5 g/mol
- Monoisotopic mass
- 461.13690464
Names & identifiers
- Preferred name
- 3,3-Dimethyl-7-oxo-6-{[{[(2-oxoimidazolidin-1-yl)carbonyl]amino}(phenyl)acetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- IUPAC
- 3,3-dimethyl-7-oxo-6-[[2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Names & synonyms
3,3-dimethyl-7-oxo-6-{[{[(2-oxoimidazolidin-1-yl)carbonyl]amino}(phenyl)acetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid3,3-Dimethyl-7-oxo-6-{2-[(2-oxoimidazolidine-1-carbonyl)amino](phenyl)acetamido}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidMLS006011456CHEMBL4747314SCHEMBL31318271DTXSID20860542CCG-16574STK177243AKOS000715136AKOS021990221SMR004703258ST070946
Show more names
3,3-Dimethyl-7-oxo-6-[2-(2-oxoimidazolidine-1-carboxamido)-2-phenylacetamido]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid3,3-dimethyl-7-oxo-6-{[{[(2-oxo-1-imidazolidinyl)carbonyl]amino}(phenyl)acetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid3,3-dimethyl-7-oxo-6-{2-[(2-oxoimidazolidinyl)carbonylamino]-2-phenylacetylami no}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Database identifiers
- PubChem CID
- 2271
- DTXSID
DTXSID20860542- ChEMBL
CHEMBL4747314
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 844
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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