(6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[3-[2-[2-(methylamino)ethanoylamino]ethylsulfanylmethyl]pyridin-4-yl]sulfanyl-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-hydroxyimino-ethanoyl]amino]-3-[3-[2-[2-(methylamino)ethanoylamino]ethylsulfanylmethyl]pyridin-4-yl]sulfanyl-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-hydroxyimino-acetyl]amino]-3-[[3-[2-[[2-(methylamino)acetyl]amino]ethylsulfanylmethyl]-4-pyridyl]sulfanyl]-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-hydroxyimino-1-oxoethyl]amino]-3-[[3-[[2-[[2-(methylamino)-1-oxoethyl]amino]ethylthio]methyl]-4-pyridinyl]thio]-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-hydroxyiminoacetyl]amino]-3-[3-[2-[[2-(methylamino)acetyl]amino]ethylsulfanylmethyl]pyridin-4-yl]sulfanyl-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-hydroximino-acetyl]amino]-8-keto-3-[[3-[[2-(sarcosylamino)ethylthio]methyl]-4-pyridyl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H26N8O6S4 MolecularWeight: 638.76254

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(=O)NCCSCC1=C(C=CN=C1)SC2=C(N3C(C(C3=O)NC(=O)C(=NO)C4=CSC(=N4)N)SC2)C(=O)O

Isomeric SMILES

CNCC(=O)NCCSCC1=C(C=CN=C1)SC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\O)/C4=CSC(=N4)N)SC2)C(=O)O

InChI

InChI=1S/C23H26N8O6S4/c1-25-7-15(32)27-4-5-38-8-11-6-26-3-2-13(11)41-14-10-39-21-17(20(34)31(21)18(14)22(35)36)29-19(33)16(30-37)12-9-40-23(24)28-12/h2-3,6,9,17,21,25,37H,4-5,7-8,10H2,1H3,(H2,24,28)(H,27,32)(H,29,33)(H,35,36)/b30-16-/t17-,21-/m1/s1