(6R,7S)-7-[[(2R)-2-azanyl-2-phenyl-ethanoyl]amino]-3-(1-methylimidazol-2-yl)sulfanyl-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7S)-7-[[(2R)-2-azanyl-2-phenyl-ethanoyl]amino]-3-(1-methylimidazol-2-yl)sulfanyl-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7S)-7-[[(2R)-2-amino-2-phenyl-acetyl]amino]-3-(1-methylimidazol-2-yl)sulfanyl-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7S)-7-[[(2R)-2-amino-1-oxo-2-phenylethyl]amino]-3-[(1-methyl-2-imidazolyl)thio]-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7S)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-(1-methylimidazol-2-yl)sulfanyl-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7S)-7-[[(2R)-2-amino-2-phenyl-acetyl]amino]-8-keto-3-[(1-methylimidazol-2-yl)thio]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(N3C(CC2)C(C3=O)NC(=O)C(C4=CC=CC=C4)N)C(=O)O

Isomeric SMILES

CN1C=CN=C1SC2=C(N3[C@H](CC2)[C@@H](C3=O)NC(=O)[C@@H](C4=CC=CC=C4)N)C(=O)O

InChI

InChI=1S/C20H21N5O4S/c1-24-10-9-22-20(24)30-13-8-7-12-15(18(27)25(12)16(13)19(28)29)23-17(26)14(21)11-5-3-2-4-6-11/h2-6,9-10,12,14-15H,7-8,21H2,1H3,(H,23,26)(H,28,29)/t12-,14-,15+/m1/s1