P9S
Summary
| Name: | dihydroxypropylcysteine |
| Formula: | C6 H13 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 195.237 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (2~{R})-2-azanyl-3-[(2~{R})-2,3-bis(oxidanyl)propyl]sulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H13NO4S/c7-5(6(10)11)3-12-2-4(9)1-8/h4-5,8-9H,1-3,7H2,(H,10,11)/t4-,5+/m1/s1 |
| InChIKey | InChI | 1.03 | GPWYBXDQHZIBPR-UHNVWZDZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CSC[C@H](O)CO)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CSC[CH](O)CO)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | C([C@H](CSC[C@@H](C(=O)O)N)O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | C(C(CSCC(C(=O)O)N)O)O |
