AC1O5CFN
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: LY 215891|5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(hydroxyimino)acetyl)amino)-3-chloro-8-oxo-, (6R-(6alpha,7beta(Z)))-|(6R)-7alpha-[[(Z)-2-(2-Amino-4-thiazolyl)-2-(hydroxyimino)acetyl]amino]-3-chloro-8-oxo-1-aza-5-thiabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(N-hydroxyimino)acetamido]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C12H10ClN5O5S2 |
|---|---|
| Molecular Weight | 402.9812 g/mol |
| LogP | -0.1615 |
| Topological Polar Surface Area | 158.21 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.9812 |
| Monoisotopic Mass | 402.9812 |
| Heavy Atoms | 25 |
| Complexity | 837.6171 |
Chemical Identifiers
| CAS Number | 68403-79-2 |
|---|---|
| SMILES | C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N\O)/C3=CSC(=N3)N)C(=O)O)Cl |
Product Overview
AC1O5CFN (CAS 68403-79-2), with molecular formula C12H10ClN5O5S2 and molecular weight 402.9812 g/mol. IUPAC: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.