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

Systemtic Name: 6-[[2-(2-azanylethanoylamino)-2-cyclohexa-1,4-dien-1-yl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[[2-[(2-aminoacetyl)amino]-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-[(2-amino-1-oxoethyl)amino]-2-(1-cyclohexa-1,4-dienyl)-1-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[[2-[(2-aminoacetyl)amino]-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[[2-cyclohexa-1,4-dien-1-yl-2-(glycylamino)acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C18H24N4O5S MolecularWeight: 408.47196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O5S/c1-18(2)13(17(26)27)22-15(25)12(16(22)28-18)21-14(24)11(20-10(23)8-19)9-6-4-3-5-7-9/h3-4,7,11-13,16H,5-6,8,19H2,1-2H3,(H,20,23)(H,21,24)(H,26,27)