6-[(2-azanyl-2-phenyl-ethanoyl)amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 3,3-dimethyl-2,2,6-tris(oxidanylidene)-2$l^{6}-thiabicyclo[3.2.0]heptane-4-carboxylic acid

Systemtic Name: 6-[(2-azanyl-2-phenyl-ethanoyl)amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 3,3-dimethyl-2,2,6-tris(oxidanylidene)-2$l^{6}-thiabicyclo[3.2.0]heptane-4-carboxylic acid Openeye Name: 6-[(2-amino-2-phenyl-acetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 3,3-dimethyl-2,2,6-trioxo-2$l^{6}-thiabicyclo[3.2.0]heptane-4-carboxylic acid CAS Name: 6-[(2-amino-1-oxo-2-phenylethyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 3,3-dimethyl-2,2,6-trioxo-2$l^{6}-thiabicyclo[3.2.0]heptane-4-carboxylic acid IUPAC Name: 6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 3,3-dimethyl-2,2,6-trioxo-2$l^{6}-thiabicyclo[3.2.0]heptane-4-carboxylic acid Traditional Name: 6-[(2-amino-2-phenyl-acetyl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 2,2,6-triketo-3,3-dimethyl-2$l^{6}-thiabicyclo[3.2.0]heptane-4-carboxylic acid Formula: C25H31N3O9S2 MolecularWeight: 581.65834

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C2C(S1(=O)=O)CC2=O)C(=O)O)C.CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C

Isomeric SMILES

CC1(C(C2C(S1(=O)=O)CC2=O)C(=O)O)C.CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C

InChI

InChI=1S/C16H19N3O4S.C9H12O5S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;1-9(2)7(8(11)12)6-4(10)3-5(6)15(9,13)14/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);5-7H,3H2,1-2H3,(H,11,12)