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

Systemtic Name: 6-[(2-azanyl-3-oxidanyl-propanoyl)oxymethyl]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[(2-amino-3-hydroxy-propanoyl)oxymethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[(2-amino-3-hydroxy-1-oxopropoxy)methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[(2-amino-3-hydroxypropanoyl)oxymethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[(2-amino-3-hydroxy-propanoyl)oxymethyl]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C12H18N2O6S MolecularWeight: 318.34612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)COC(=O)C(CO)N)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)COC(=O)C(CO)N)C(=O)O)C

InChI

InChI=1S/C12H18N2O6S/c1-12(2)7(10(17)18)14-8(16)5(9(14)21-12)4-20-11(19)6(13)3-15/h5-7,9,15H,3-4,13H2,1-2H3,(H,17,18)