TZB
Summary
| Name: | (4S)-2-[(1E)-1-AMINOPROP-1-ENYL]-4,5-DIHYDRO-1,3-THIAZOLE-4-CARBOXYLIC ACID |
| Formula: | C7 H10 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 186.231 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (4S)-2-[(1Z)-1-aminoprop-1-en-1-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | (4S)-2-[(Z)-1-aminoprop-1-enyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C1N=C(SC1)C(\N)=C\C |
| SMILES_CANONICAL | CACTVS | 3.341 | C\C=C(/N)C1=N[C@H](CS1)C(O)=O |
| SMILES | CACTVS | 3.341 | CC=C(N)C1=N[CH](CS1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C\C=C(\C1=N[C@H](CS1)C(=O)O)/N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC=C(C1=NC(CS1)C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C7H10N2O2S/c1-2-4(8)6-9-5(3-12-6)7(10)11/h2,5H,3,8H2,1H3,(H,10,11)/b4-2-/t5-/m1/s1 |
| InChIKey | InChI | 1.03 | FDEYZMSECWCRCN-DWFCDSDJSA-N |
