3,3-dimethylbutanoyloxymethyl (6R,7R)-7-[[(2Z)-2-[2-[[(2S)-2-azanylpropanoyl]amino]-1,3-thiazol-4-yl]-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3,3-dimethylbutanoyloxymethyl (6R,7R)-7-[[(2Z)-2-[2-[[(2S)-2-azanylpropanoyl]amino]-1,3-thiazol-4-yl]-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3,3-dimethylbutanoyloxymethyl (6R,7R)-7-[[(2Z)-2-[2-[[(2S)-2-aminopropanoyl]amino]thiazol-4-yl]-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-7-[[(2Z)-2-[2-[[(2S)-2-amino-1-oxopropyl]amino]-4-thiazolyl]-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (3,3-dimethyl-1-oxobutoxy)methyl ester IUPAC Name: 3,3-dimethylbutanoyloxymethyl (6R,7R)-7-[[(2Z)-2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-7-[[(2Z)-2-[2-[[(2S)-2-aminopropanoyl]amino]thiazol-4-yl]-2-methyloximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 3,3-dimethylbutanoyloxymethyl ester Formula: C23H30N6O8S2 MolecularWeight: 582.6497

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C(=NOC)C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)OCOC(=O)CC(C)(C)C)N

Isomeric SMILES

C[C@@H](C(=O)NC1=NC(=CS1)/C(=N/OC)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=CCS3)C(=O)OCOC(=O)CC(C)(C)C)N

InChI

InChI=1S/C23H30N6O8S2/c1-11(24)17(31)27-22-25-12(9-39-22)15(28-35-5)18(32)26-16-19(33)29-13(6-7-38-20(16)29)21(34)37-10-36-14(30)8-23(2,3)4/h6,9,11,16,20H,7-8,10,24H2,1-5H3,(H,26,32)(H,25,27,31)/b28-15-/t11-,16+,20+/m0/s1