CFU
Summary
Name: | (2R)-2-[(1R)-1-(acetylamino)-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
Formula: | C10 H14 N2 O4 S |
Formal charge: | 0 |
Formula weight: | 258.294 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (2R)-2-[(1R)-1-(acetylamino)-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
OpenEye OEToolkits | 1.7.6 | (2R)-2-[(1R)-1-acetamido-2-oxidanylidene-ethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=CC(NC(=O)C)C1SCC(=C(C(=O)O)N1)C |
InChI | InChI | 1.03 | InChI=1S/C10H14N2O4S/c1-5-4-17-9(12-8(5)10(15)16)7(3-13)11-6(2)14/h3,7,9,12H,4H2,1-2H3,(H,11,14)(H,15,16)/t7-,9-/m1/s1 |
InChIKey | InChI | 1.03 | POOBXVPMJBGTRO-VXNVDRBHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@H](C=O)[C@@H]1NC(=C(C)CS1)C(O)=O |
SMILES | CACTVS | 3.385 | CC(=O)N[CH](C=O)[CH]1NC(=C(C)CS1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)C)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1=C(NC(SC1)C(C=O)NC(=O)C)C(=O)O |