(2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-[[5-(phenylmethyl)oxolan-2-yl]carbonylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: (2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-[[5-(phenylmethyl)oxolan-2-yl]carbonylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: (2S,5R,6R)-6-[(5-benzyltetrahydrofuran-2-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[oxo-[5-(phenylmethyl)-2-oxolanyl]methyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: (2S,5R,6R)-6-[(5-benzyloxolane-2-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: (2S,5R,6R)-6-[(5-benzyltetrahydrofuran-2-carbonyl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C3CCC(O3)CC4=CC=CC=C4)C(=O)O)C

Isomeric SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3CCC(O3)CC4=CC=CC=C4)C(=O)O)C

InChI

InChI=1S/C20H24N2O5S/c1-20(2)15(19(25)26)22-17(24)14(18(22)28-20)21-16(23)13-9-8-12(27-13)10-11-6-4-3-5-7-11/h3-7,12-15,18H,8-10H2,1-2H3,(H,21,23)(H,25,26)/t12?,13?,14-,15+,18-/m1/s1