(6R,7R)-7-[[(2Z)-2-[2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-1,3-thiazol-4-yl]-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-7-[[(2Z)-2-[2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-1,3-thiazol-4-yl]-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-[[(2Z)-2-[2-[[(2S)-2-amino-3-methyl-butanoyl]amino]thiazol-4-yl]-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-[[(2Z)-2-[2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-4-thiazolyl]-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-[[(2Z)-2-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-7-[[(2Z)-2-[2-[[(2S)-2-amino-3-methyl-butanoyl]amino]thiazol-4-yl]-2-methyloximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H22N6O6S2 MolecularWeight: 482.53388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(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)O)N

InChI

InChI=1S/C18H22N6O6S2/c1-7(2)10(19)13(25)22-18-20-8(6-32-18)11(23-30-3)14(26)21-12-15(27)24-9(17(28)29)4-5-31-16(12)24/h4,6-7,10,12,16H,5,19H2,1-3H3,(H,21,26)(H,28,29)(H,20,22,25)/b23-11-/t10-,12+,16+/m0/s1