(2S)-3-[[(2E)-2-(2-azanylethoxyimino)-2-(2-azanyl-1,3-thiazol-4-yl)ethanoyl]amino]-2-methyl-4-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: (2S)-3-[[(2E)-2-(2-azanylethoxyimino)-2-(2-azanyl-1,3-thiazol-4-yl)ethanoyl]amino]-2-methyl-4-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: (2S)-3-[[(2E)-2-(2-aminoethoxyimino)-2-(2-aminothiazol-4-yl)acetyl]amino]-2-methyl-4-oxo-azetidine-1-sulfonic acid CAS Name: (2S)-3-[[(2E)-2-(2-aminoethoxyimino)-2-(2-amino-4-thiazolyl)-1-oxoethyl]amino]-2-methyl-4-oxo-1-azetidinesulfonic acid IUPAC Name: (2S)-3-[[(2E)-2-(2-aminoethoxyimino)-2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonic acid Traditional Name: (4S)-3-[[(2E)-2-(2-aminoethyloximino)-2-(2-aminothiazol-4-yl)acetyl]amino]-2-keto-4-methyl-azetidine-1-sulfonic acid Formula: C11H16N6O6S2 MolecularWeight: 392.41134

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOCCN)C2=CSC(=N2)N

Isomeric SMILES

C[C@H]1C(C(=O)N1S(=O)(=O)O)NC(=O)/C(=N/OCCN)/C2=CSC(=N2)N

InChI

InChI=1S/C11H16N6O6S2/c1-5-7(10(19)17(5)25(20,21)22)15-9(18)8(16-23-3-2-12)6-4-24-11(13)14-6/h4-5,7H,2-3,12H2,1H3,(H2,13,14)(H,15,18)(H,20,21,22)/b16-8+/t5-,7?/m0/s1