AC1L5TXF
(2S,5R,6R)-6-[(1-aminocyclopentanecarbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: KST-1A0285|Wy-7953|(2s,5r,6r)-6-{[(1-aminocyclopentyl)carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|6-(((1-Aminocyclopentyl)carbonyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid|6alpha-[[(1-Aminocyclopentyl)carbonyl]amino]penicillanic acid|(2S,5beta)-6alpha-[[(1-Aminocyclopentyl)carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2beta-carboxylic acid|(2S,5R,6R)-6-(1-aminocyclopentaneamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|(2S,5R,6R)-6-[(1-aminocyclopentanecarbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
| Molecular Formula | C14H21N3O4S |
|---|---|
| Molecular Weight | 327.12527 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.12527 |
| Monoisotopic Mass | 327.12527 |
| Heavy Atoms | 22 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 3485-08-3 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3(CCCC3)N)C(=O)O)C |
| InChIKey | JBSBDUODFNGBJT-KHQFGBGNSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AC1L5TXF (CAS 3485-08-3), with molecular formula C14H21N3O4S and molecular weight 327.12527 g/mol. IUPAC: (2S,5R,6R)-6-[(1-aminocyclopentanecarbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
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