3,3-dimethyl-7-oxidanylidene-6-[[2-phenyl-2-(pyrrolidin-2-ylcarbonylamino)ethanoyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 3,3-dimethyl-7-oxidanylidene-6-[[2-phenyl-2-(pyrrolidin-2-ylcarbonylamino)ethanoyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 3,3-dimethyl-7-oxo-6-[[2-phenyl-2-(pyrrolidine-2-carbonylamino)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 3,3-dimethyl-7-oxo-6-[[1-oxo-2-[[oxo(2-pyrrolidinyl)methyl]amino]-2-phenylethyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 3,3-dimethyl-7-oxo-6-[[2-phenyl-2-(pyrrolidine-2-carbonylamino)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 7-keto-3,3-dimethyl-6-[[2-phenyl-2-(prolylamino)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)C4CCCN4)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)C4CCCN4)C(=O)O)C

InChI

InChI=1S/C21H26N4O5S/c1-21(2)15(20(29)30)25-18(28)14(19(25)31-21)24-17(27)13(11-7-4-3-5-8-11)23-16(26)12-9-6-10-22-12/h3-5,7-8,12-15,19,22H,6,9-10H2,1-2H3,(H,23,26)(H,24,27)(H,29,30)