O9H
Summary
| Name: | [(1~{R},3~{R})-1-acetyloxy-1-[4-methanoyl-5-(2-phenylmethoxyethyl)-2,3-dihydro-1,3-thiazol-2-yl]-4-methyl-pentan-3-yl]-methyl-azanium |
| Formula: | C22 H33 N2 O4 S |
| Formal charge: | 1 |
| Formula weight: | 421.573 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(1~{R},3~{R})-1-acetyloxy-1-[4-methanoyl-5-(2-phenylmethoxyethyl)-2,3-dihydro-1,3-thiazol-2-yl]-4-methyl-pentan-3-yl]-methyl-azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H32N2O4S/c1-15(2)18(23-4)12-20(28-16(3)26)22-24-19(13-25)21(29-22)10-11-27-14-17-8-6-5-7-9-17/h5-9,13,15,18,20,22-24H,10-12,14H2,1-4H3/p+1/t18-,20-,22+/m1/s1 |
| InChIKey | InChI | 1.03 | PGOBLOKJRKQHRJ-UZKOGDIHSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | C[NH2+][C@H](C[C@@H](OC(C)=O)[C@H]1NC(=C(CCOCc2ccccc2)S1)C=O)C(C)C |
| SMILES | CACTVS | 3.385 | C[NH2+][CH](C[CH](OC(C)=O)[CH]1NC(=C(CCOCc2ccccc2)S1)C=O)C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)[C@@H](C[C@H](C1NC(=C(S1)CCOCc2ccccc2)C=O)OC(=O)C)[NH2+]C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(CC(C1NC(=C(S1)CCOCc2ccccc2)C=O)OC(=O)C)[NH2+]C |
