6-[[2-[2-[[azanyl-(3-chloranyl-5-cyano-phenyl)methylidene]amino]ethanoylamino]-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-[[2-[2-[[azanyl-(3-chloranyl-5-cyano-phenyl)methylidene]amino]ethanoylamino]-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[[2-[[2-[[amino-(3-chloro-5-cyano-phenyl)methylene]amino]acetyl]amino]-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[[2-[[2-[[amino-(3-chloro-5-cyanophenyl)methylidene]amino]-1-oxoethyl]amino]-1-oxo-2-phenylethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[[2-[[2-[[amino-(3-chloro-5-cyanophenyl)methylidene]amino]acetyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[[2-[[2-[[amino-(3-chloro-5-cyano-phenyl)methylene]amino]acetyl]amino]-2-phenyl-acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C26H25ClN6O5S MolecularWeight: 569.0319

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)CN=C(C4=CC(=CC(=C4)C#N)Cl)N)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)CN=C(C4=CC(=CC(=C4)C#N)Cl)N)C(=O)O)C

InChI

InChI=1S/C26H25ClN6O5S/c1-26(2)20(25(37)38)33-23(36)19(24(33)39-26)32-22(35)18(14-6-4-3-5-7-14)31-17(34)12-30-21(29)15-8-13(11-28)9-16(27)10-15/h3-10,18-20,24H,12H2,1-2H3,(H2,29,30)(H,31,34)(H,32,35)(H,37,38)