Primary record
AC1NUP4U
- CAS
- 102253-70-3
- PubChem CID
- 5487112
- SMILES
- CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=C(C=C4)C5=CN=CO5)C(=O)[O-]
- Molecular Formula
- C22H19N7O6S2
- Molecular Weight
- 541.571
- Exact Mass
- 541.0838
- InChI
- InChI=1S/C22H19N7O6S2/c1-34-27-15(13-9-37-22(23)25-13)18(30)26-16-19(31)29-17(21(32)33)12(8-36-20(16)29)7-28-4-2-11(3-5-28)14-6-24-10-35-14/h2-6,9-10,16,20H,7-8H2,1H3,(H3-,23,25,26,30,32,33)/b27-15-/t16-,20-/m1/s1
- InChIKey
- IWIVCNVLSKNJJS-VLMZJYNESA-N
- LogP
- -0.8776
- TPSA
- 179.95
Names and synonyms
- AC1NUP4U
- UNII-FL4GP959ZV
- FL4GP959ZV
- DQ-2556
- SCHEMBL10823262
- DQ 2556
- CID5487112
- DQ-2256
- J227.560K
- 102253-70-3
- (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[4-(1,3-oxazol-5-yl)pyridin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- Pyridinium, 1-[[(6R,7R)-7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-4-(5-oxazolyl)-, inner salt
- (6R,7R)-7-((Z)-2-(2-AMINOTHIAZOL-4-YL)-2-(METHOXYIMINO)ACETAMIDO)-3-(4-(OXAZOL-5-YL)-1-PYRIDINIO)METHYL-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CAR-BOXYLATE
- 1-[[(6R,7R)-7alpha-[[(2-Amino-4-thiazolyl)[(Z)-methoxyimino]acetyl]amino]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-4-(5-oxazolyl)pyridinium
- 1-{[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}-4-(1,3-oxazol-5-yl)pyridin-1-ium
- PYRIDINIUM, 1-(((6R,7R)-7-(((2Z)-(2-AMINO-4-THIAZOLYL)(METHOXYIMINO)ACETYL)AMINO)-2-CARBOXY-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-3-YL)METHYL)-4-(5-OXAZOLYL)-, INNER SALT