3-[[5-(3-azanyl-3-azanylidene-2-methyl-propyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-[[(2E)-2-(2-azanyl-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: 3-[[5-(3-azanyl-3-azanylidene-2-methyl-propyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-[[(2E)-2-(2-azanyl-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: 3-[[5-(3-amino-3-imino-2-methyl-propyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[[5-[(3-amino-3-imino-2-methylpropyl)thio]-1,3,4-thiadiazol-2-yl]thio]methyl]-7-[[(2E)-2-(2-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: 3-[[5-(3-amino-3-imino-2-methylpropyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-[[(2E)-2-(2-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: 3-[[[5-[(3-amino-3-imino-2-methyl-propyl)thio]-1,3,4-thiadiazol-2-yl]thio]methyl]-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H23N9O5S5 MolecularWeight: 629.77892

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O)C(=N)N

Isomeric SMILES

CC(CSC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)/C(=N/OC)/C4=CSC(=N4)N)SC2)C(=O)O)C(=N)N

InChI

InChI=1S/C20H23N9O5S5/c1-7(13(21)22)3-37-19-26-27-20(39-19)38-5-8-4-35-16-11(15(31)29(16)12(8)17(32)33)25-14(30)10(28-34-2)9-6-36-18(23)24-9/h6-7,11,16H,3-5H2,1-2H3,(H3,21,22)(H2,23,24)(H,25,30)(H,32,33)/b28-10+