(2S,5R,6R)-6-[[(2R)-2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol; 2-oxidanylpropane-1,2,3-tricarboxylic acid; zinc

Systemtic Name: (2S,5R,6R)-6-[[(2R)-2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol; 2-oxidanylpropane-1,2,3-tricarboxylic acid; zinc Openeye Name: (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; citric acid; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol; zinc CAS Name: (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-(2-methyl-5-nitro-1-imidazolyl)ethanol; zinc IUPAC Name: (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-(2-methyl-5-nitroimidazol-1-yl)ethanol; zinc Traditional Name: (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; citric acid; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol; zinc Formula: C34H44N6O22SZn3 MolecularWeight: 1117.03216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCO)[N+](=O)[O-].CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[Zn].[Zn].[Zn]

Isomeric SMILES

CC1=NC=C(N1CCO)[N+](=O)[O-].CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[Zn].[Zn].[Zn]

InChI

InChI=1S/C16H19N3O5S.C6H9N3O3.2C6H8O7.3Zn/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;1-5-7-4-6(9(11)12)8(5)2-3-10;2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);4,10H,2-3H2,1H3;2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/t9-,10-,11+,14-;;;;;;/m1....../s1