I38
Summary
| Name: | N-(3-MERCAPTOPROPANOYL)-D-ALANINE |
| Formula: | C6 H11 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 177.221 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-(3-sulfanylpropanoyl)-D-alanine |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-(3-sulfanylpropanoylamino)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC(C(=O)O)C)CCS |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](NC(=O)CCS)C(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](NC(=O)CCS)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H](C(=O)O)NC(=O)CCS |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(=O)O)NC(=O)CCS |
| InChI | InChI | 1.03 | InChI=1S/C6H11NO3S/c1-4(6(9)10)7-5(8)2-3-11/h4,11H,2-3H2,1H3,(H,7,8)(H,9,10)/t4-/m1/s1 |
| InChIKey | InChI | 1.03 | JIAFOCJABIEPNM-SCSAIBSYSA-N |
