3,3-dimethyl-6-[2-[2-[[1-[(E)-(5-methyl-1,2-oxazol-3-yl)methylideneamino]-2-oxidanylidene-imidazolidin-1-ium-1-yl]carbonylamino]phenyl]ethanoylamino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 3,3-dimethyl-6-[2-[2-[[1-[(E)-(5-methyl-1,2-oxazol-3-yl)methylideneamino]-2-oxidanylidene-imidazolidin-1-ium-1-yl]carbonylamino]phenyl]ethanoylamino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 3,3-dimethyl-6-[[2-[2-[[1-[(E)-(5-methylisoxazol-3-yl)methyleneamino]-2-oxo-imidazolidin-1-ium-1-carbonyl]amino]phenyl]acetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 3,3-dimethyl-6-[[2-[2-[[[1-[(E)-(5-methyl-3-isoxazolyl)methylideneamino]-2-oxo-1-imidazolidin-1-iumyl]-oxomethyl]amino]phenyl]-1-oxoethyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 3,3-dimethyl-6-[[2-[2-[[1-[(E)-(5-methyl-1,2-oxazol-3-yl)methylideneamino]-2-oxoimidazolidin-1-ium-1-carbonyl]amino]phenyl]acetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 7-keto-6-[[2-[2-[[2-keto-1-[(E)-(5-methylisoxazol-3-yl)methyleneamino]imidazolidin-1-ium-1-carbonyl]amino]phenyl]acetyl]amino]-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C25H28N7O7S+ MolecularWeight: 570.59752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C=N[N+]2(CCNC2=O)C(=O)NC3=CC=CC=C3CC(=O)NC4C5N(C4=O)C(C(S5)(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=NO1)/C=N/[N+]2(CCNC2=O)C(=O)NC3=CC=CC=C3CC(=O)NC4C5N(C4=O)C(C(S5)(C)C)C(=O)O

InChI

InChI=1S/C25H27N7O7S/c1-13-10-15(30-39-13)12-27-32(9-8-26-23(32)37)24(38)28-16-7-5-4-6-14(16)11-17(33)29-18-20(34)31-19(22(35)36)25(2,3)40-21(18)31/h4-7,10,12,18-19,21H,8-9,11H2,1-3H3,(H3-,26,28,29,33,35,36,37,38)/p+1/b27-12+