A1JXD
Summary
| Name: | (2~{R})-2-[(1~{R})-1-[[(2~{R})-2-azanyl-2-phenyl-ethanoyl]amino]-2-oxidanylidene-ethyl]-5-methyl-5,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid |
| Formula: | C16 H19 N3 O4 S |
| Formal charge: | 0 |
| Formula weight: | 349.405 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-[(1~{R})-1-[[(2~{R})-2-azanyl-2-phenyl-ethanoyl]amino]-2-oxidanylidene-ethyl]-5-methyl-5,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H19N3O4S/c1-9-8-24-15(19-13(9)16(22)23)11(7-20)18-14(21)12(17)10-5-3-2-4-6-10/h2-7,9,11-12,15H,8,17H2,1H3,(H,18,21)(H,22,23)/t9?,11-,12-,15-/m1/s1 |
| InChIKey | InChI | 1.06 | SGDBJNVCNZNWTA-MSJRJPAQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CS[C@@H](N=C1C(O)=O)[C@H](NC(=O)[C@H](N)c2ccccc2)C=O |
| SMILES | CACTVS | 3.385 | C[CH]1CS[CH](N=C1C(O)=O)[CH](NC(=O)[CH](N)c2ccccc2)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1CS[C@@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CSC(N=C1C(=O)O)C(C=O)NC(=O)C(c2ccccc2)N |
