B7Y
Summary
| Name: | methyl (2S)-2-[[3-(4-chloranylbutanoyl)phenyl]carbonylamino]-3-methyl-butanoate |
| Formula: | C17 H22 Cl N O4 |
| Formal charge: | 0 |
| Formula weight: | 339.814 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl (2~{S})-2-[[3-(4-chloranylbutanoyl)phenyl]carbonylamino]-3-methyl-butanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H22ClNO4/c1-11(2)15(17(22)23-3)19-16(21)13-7-4-6-12(10-13)14(20)8-5-9-18/h4,6-7,10-11,15H,5,8-9H2,1-3H3,(H,19,21)/t15-/m0/s1 |
| InChIKey | InChI | 1.06 | VVOUIVLXVGNARI-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@@H](NC(=O)c1cccc(c1)C(=O)CCCCl)C(C)C |
| SMILES | CACTVS | 3.385 | COC(=O)[CH](NC(=O)c1cccc(c1)C(=O)CCCCl)C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)[C@@H](C(=O)OC)NC(=O)c1cccc(c1)C(=O)CCCCl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(C(=O)OC)NC(=O)c1cccc(c1)C(=O)CCCCl |
