XVE
Summary
| Name: | PHENYLMETHYL N-[(2S)-4-CHLORO-3-OXO-1-PHENYL-BUTAN-2-YL]CARBAMATE |
| Formula: | C18 H18 Cl N O3 |
| Formal charge: | 0 |
| Formula weight: | 331.793 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | phenylmethyl N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | ClCC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2 |
| SMILES | CACTVS | 3.352 | ClCC(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)C[C@@H](C(=O)CCl)NC(=O)OCc2ccccc2 |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)CC(C(=O)CCl)NC(=O)OCc2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C18H18ClNO3/c19-12-17(21)16(11-14-7-3-1-4-8-14)20-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,22)/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | OYHLRJGDELITAF-INIZCTEOSA-N |
