NFN
Summary
| Name: | 6-[[(2-ETHOXY-1-NAPHTHALENYL)CARBONYL]AMINO]-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE |
| Formula: | C21 H21 N2 O5 S |
| Formal charge: | -1 |
| Formula weight: | 413.467 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S,5R,6R)-6-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
| OpenEye OEToolkits | 1.5.0 | (2S,5R,6R)-6-[(2-ethoxynaphthalen-1-yl)carbonylamino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C([O-])C3N4C(=O)C(NC(=O)c2c1ccccc1ccc2OCC)C4SC3(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CCOc1ccc2ccccc2c1C(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C([O-])=O |
| SMILES | CACTVS | 3.341 | CCOc1ccc2ccccc2c1C(=O)N[CH]3[CH]4SC(C)(C)[CH](N4C3=O)C([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOc1ccc2ccccc2c1C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCOc1ccc2ccccc2c1C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)/p-1/t15-,16+,19-/m1/s1 |
| InChIKey | InChI | 1.03 | GPXLMGHLHQJAGZ-JTDSTZFVSA-M |
