aminocarbonyl-[2-carboxy-8-oxidanylidene-7-[(2-oxidanyl-2-phenyl-ethanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-cyclohexyl-methyl-azanium

Systemtic Name: aminocarbonyl-[2-carboxy-8-oxidanylidene-7-[(2-oxidanyl-2-phenyl-ethanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-cyclohexyl-methyl-azanium Openeye Name: carbamoyl-[2-carboxy-7-[(2-hydroxy-2-phenyl-acetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-cyclohexyl-methyl-ammonium CAS Name: carbamoyl-[2-carboxy-7-[(2-hydroxy-1-oxo-2-phenylethyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-cyclohexyl-methylammonium IUPAC Name: carbamoyl-[2-carboxy-7-[(2-hydroxy-2-phenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-cyclohexyl-methylazanium Traditional Name: carbamoyl-[2-carboxy-8-keto-7-(mandeloylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-cyclohexyl-methyl-ammonium Formula: C23H29N4O6S+ MolecularWeight: 489.56456

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C1CCCCC1)(C2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CC=C4)O)SC2)C(=O)O)C(=O)N

Isomeric SMILES

C[N+](C1CCCCC1)(C2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CC=C4)O)SC2)C(=O)O)C(=O)N

InChI

InChI=1S/C23H28N4O6S/c1-27(23(24)33,14-10-6-3-7-11-14)15-12-34-21-16(20(30)26(21)17(15)22(31)32)25-19(29)18(28)13-8-4-2-5-9-13/h2,4-5,8-9,14,16,18,21,28H,3,6-7,10-12H2,1H3,(H3-,24,25,29,31,32,33)/p+1