(6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(E)-3-[2,6-bis(azanyl)pyrimidin-4-yl]sulfanylprop-1-enyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(E)-3-[2,6-bis(azanyl)pyrimidin-4-yl]sulfanylprop-1-enyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(E)-3-(2,6-diaminopyrimidin-4-yl)sulfanylprop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[(E)-3-[(2,6-diamino-4-pyrimidinyl)thio]prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(E)-3-(2,6-diaminopyrimidin-4-yl)sulfanylprop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-3-[(E)-3-[(2,6-diaminopyrimidin-4-yl)thio]prop-1-enyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H21N9O5S3 MolecularWeight: 563.63304

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C=CCSC4=NC(=NC(=C4)N)N)C(=O)O

Isomeric SMILES

CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)/C=C/CSC4=NC(=NC(=C4)N)N)C(=O)O

InChI

InChI=1S/C20H21N9O5S3/c1-34-28-12(9-7-37-20(23)24-9)15(30)27-13-16(31)29-14(18(32)33)8(6-36-17(13)29)3-2-4-35-11-5-10(21)25-19(22)26-11/h2-3,5,7,13,17H,4,6H2,1H3,(H2,23,24)(H,27,30)(H,32,33)(H4,21,22,25,26)/b3-2+,28-12-/t13-,17-/m1/s1