T7H
Summary
| Name: | 3-({2-[(carboxymethyl)amino]ethyl}sulfanyl)propanoic acid |
| Formula: | C7 H13 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 207.247 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-({2-[(carboxymethyl)amino]ethyl}sulfanyl)propanoic acid |
| OpenEye OEToolkits | 2.0.7 | 3-[2-(2-hydroxy-2-oxoethylamino)ethylsulfanyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)CNCCSCCC(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C7H13NO4S/c9-6(10)1-3-13-4-2-8-5-7(11)12/h8H,1-5H2,(H,9,10)(H,11,12) |
| InChIKey | InChI | 1.06 | CKNRVCNEJKWKTH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCSCCNCC(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)CCSCCNCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(CSCCNCC(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CSCCNCC(=O)O)C(=O)O |
