6-[[2-[2-[[azanyl-[4-bromanyl-3,5-bis(chloranyl)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-[4-bromanyl-3,5-bis(chloranyl)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-(4-bromo-3,5-dichloro-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-(4-bromo-3,5-dichlorophenyl)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-(4-bromo-3,5-dichlorophenyl)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-(4-bromo-3,5-dichloro-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: C25H24BrCl2N5O5S MolecularWeight: 657.36356

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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(=C(C(=C4)Cl)Br)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(=C(C(=C4)Cl)Br)Cl)N)C(=O)O)C

InChI

InChI=1S/C25H24BrCl2N5O5S/c1-25(2)19(24(37)38)33-22(36)18(23(33)39-25)32-21(35)17(11-6-4-3-5-7-11)31-15(34)10-30-20(29)12-8-13(27)16(26)14(28)9-12/h3-9,17-19,23H,10H2,1-2H3,(H2,29,30)(H,31,34)(H,32,35)(H,37,38)