3-[(3,3-dimethyl-7-oxidanylidene-2-phosphono-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)amino]-3-oxidanylidene-2-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[(3,3-dimethyl-7-oxidanylidene-2-phosphono-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)amino]-3-oxidanylidene-2-thiophen-2-yl-propanoic acid Openeye Name: 3-[(3,3-dimethyl-7-oxo-2-phosphono-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)amino]-3-oxo-2-(2-thienyl)propanoic acid CAS Name: 3-[(3,3-dimethyl-7-oxo-2-phosphono-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)amino]-3-oxo-2-thiophen-2-ylpropanoic acid IUPAC Name: 3-[(3,3-dimethyl-7-oxo-2-phosphono-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)amino]-3-oxo-2-thiophen-2-ylpropanoic acid Traditional Name: 3-keto-3-[(7-keto-3,3-dimethyl-2-phosphono-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)amino]-2-(2-thienyl)propionic acid Formula: C14H17N2O7PS2 MolecularWeight: 420.397741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CS3)C(=O)O)P(=O)(O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CS3)C(=O)O)P(=O)(O)O)C

InChI

InChI=1S/C14H17N2O7PS2/c1-14(2)13(24(21,22)23)16-10(18)8(11(16)26-14)15-9(17)7(12(19)20)6-4-3-5-25-6/h3-5,7-8,11,13H,1-2H3,(H,15,17)(H,19,20)(H2,21,22,23)