6-[[2-cyclohexa-1,4-dien-1-yl-2-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)carbamoylamino]ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-[[2-cyclohexa-1,4-dien-1-yl-2-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)carbamoylamino]ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[[2-[(1-carboxy-3-methylsulfanyl-propyl)carbamoylamino]-2-cyclohexa-1,4-dien-1-yl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[[2-(1-cyclohexa-1,4-dienyl)-2-[[[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]amino]-1-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[[2-cyclohexa-1,4-dien-1-yl-2-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)carbamoylamino]acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[[2-[[1-carboxy-3-(methylthio)propyl]carbamoylamino]-2-cyclohexa-1,4-dien-1-yl-acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C22H30N4O7S2 MolecularWeight: 526.6262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CCC=CC3)NC(=O)NC(CCSC)C(=O)O)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CCC=CC3)NC(=O)NC(CCSC)C(=O)O)C(=O)O)C

InChI

InChI=1S/C22H30N4O7S2/c1-22(2)15(20(31)32)26-17(28)14(18(26)35-22)24-16(27)13(11-7-5-4-6-8-11)25-21(33)23-12(19(29)30)9-10-34-3/h4-5,8,12-15,18H,6-7,9-10H2,1-3H3,(H,24,27)(H,29,30)(H,31,32)(H2,23,25,33)