7-[(2-azanyl-2-phenyl-ethanoyl)amino]-8-oxidanylidene-3-piperidin-1-ylcarbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[(2-azanyl-2-phenyl-ethanoyl)amino]-8-oxidanylidene-3-piperidin-1-ylcarbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-amino-2-phenyl-acetyl)amino]-8-oxo-3-(piperidine-1-carbonyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-amino-1-oxo-2-phenylethyl)amino]-8-oxo-3-[oxo(1-piperidinyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-amino-2-phenylacetyl)amino]-8-oxo-3-(piperidine-1-carbonyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(2-amino-2-phenyl-acetyl)amino]-8-keto-3-(piperidine-1-carbonyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CC=C4)N)SC2)C(=O)O

Isomeric SMILES

C1CCN(CC1)C(=O)C2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CC=C4)N)SC2)C(=O)O

InChI

InChI=1S/C21H24N4O5S/c22-14(12-7-3-1-4-8-12)17(26)23-15-19(28)25-16(21(29)30)13(11-31-20(15)25)18(27)24-9-5-2-6-10-24/h1,3-4,7-8,14-15,20H,2,5-6,9-11,22H2,(H,23,26)(H,29,30)