T7C
Summary
| Name: | 3-({2-[(2-amino-2-oxoethyl)amino]ethyl}sulfanyl)propanoic acid |
| Formula: | C7 H14 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 206.263 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-({2-[(2-amino-2-oxoethyl)amino]ethyl}sulfanyl)propanoic acid |
| OpenEye OEToolkits | 2.0.7 | 3-[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]ethylsulfanyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N)CNCCSCCC(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C7H14N2O3S/c8-6(10)5-9-2-4-13-3-1-7(11)12/h9H,1-5H2,(H2,8,10)(H,11,12) |
| InChIKey | InChI | 1.06 | MUBXWBWLTBTNGS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)CNCCSCCC(O)=O |
| SMILES | CACTVS | 3.385 | NC(=O)CNCCSCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(CSCCNCC(=O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CSCCNCC(=O)N)C(=O)O |
