6-{3-[(2,3-Dihydro-1H-inden-5-yl)oxy]-3-oxo-2-phenylpropanamido}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

HCID 2575

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Basic information

Standard SMILES: CC1(C)SC2C(NC(=O)C(C(=O)Oc3ccc4c(c3)CCC4)c3ccccc3)C(=O)N2C1C(=O)O
InChIKey: JIRBAUWICKGBFE-UHFFFAOYSA-N
Molecular formula: C26H26N2O6S
Average molar mass: 494.6 g/mol
Monoisotopic mass: 494.15115773

Names & identifiers

Preferred name: 6-{3-[(2,3-Dihydro-1H-inden-5-yl)oxy]-3-oxo-2-phenylpropanamido}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC: 6-[[3-(2,3-dihydro-1H-inden-5-yloxy)-3-oxo-2-phenylpropanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Names & synonyms

SCHEMBL4936924DTXSID908605196-{3-[(2,3-Dihydro-1H-inden-5-yl)oxy]-3-oxo-2-phenylpropanamido}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Database identifiers

PubChem CID: 2575
DTXSID: DTXSID90860519

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 138 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 35
Formal charge: 0
Complexity: 887

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