EINECS 249-292-3
(6R,7R)-3-(acetyloxymethyl)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: EINECS 249-292-3|KST-1A3553|(6r,7r)-3-[(acetyloxy)methyl]-7-{[(2r)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R-(6alpha,7beta(R*)))-3-(Acetoxymethyl)-7-(amino(4-hydroxyphenyl)acetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid|(6R,7R)-3-(acetyloxymethyl)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R)-3-[(ACETYLOXY)METHYL]-7-[(2R)-2-AMINO-2-(4-HYDROXYPHENYL)ACETAMIDO]-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID|(6R,7R)-3-[(Acetyloxy)methyl]-7-[[(R)-amino(4-hydroxyphenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R)-3-[(Acetyloxy)methyl]-7-{[(2R)-2-amino-1-hydroxy-2-(4-hydroxyphenyl)ethylidene]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R-(6alpha,7beta(R*)))-3-(Acetoxymethyl)-7-(amino(4-hydroxyphenyl)acetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylicacid|[6R-[6alpha,7beta(R*)]]-3-(acetoxymethyl)-7-[amino(4-hydroxyphenyl)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|3-[(Acetyloxy)methyl]-7-{[2-amino-1-hydroxy-2-(4-hydroxyphenyl)ethylidene]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C18H19N3O7S |
|---|---|
| Molecular Weight | 421.09436 g/mol |
| LogP | -0.31 |
| Topological Polar Surface Area | 159.26 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.09436 |
| Heavy Atoms | 29 |
| Complexity | 899.2 |
Chemical Identifiers
| CAS Number | 28894-60-2 |
|---|---|
| SMILES | CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)SC1)C(=O)O |
Product Overview
EINECS 249-292-3 (CAS 28894-60-2), with molecular formula C18H19N3O7S and molecular weight 421.09436 g/mol. IUPAC: (6R,7R)-3-(acetyloxymethyl)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
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