6-[(2-azanyl-3-phenyl-propanoyl)oxymethyl]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-[(2-azanyl-3-phenyl-propanoyl)oxymethyl]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[(2-amino-3-phenyl-propanoyl)oxymethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[(2-amino-1-oxo-3-phenylpropoxy)methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[(2-amino-3-phenylpropanoyl)oxymethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 7-keto-3,3-dimethyl-6-(phenylalanyloxymethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)COC(=O)C(CC3=CC=CC=C3)N)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)COC(=O)C(CC3=CC=CC=C3)N)C(=O)O)C

InChI

InChI=1S/C18H22N2O5S/c1-18(2)13(16(22)23)20-14(21)11(15(20)26-18)9-25-17(24)12(19)8-10-6-4-3-5-7-10/h3-7,11-13,15H,8-9,19H2,1-2H3,(H,22,23)