6V1
Summary
| Name: | (2~{R})-2-azanyl-3-[(3~{R})-1-ethyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid |
| Formula: | C9 H14 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 246.283 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (2~{R})-2-azanyl-3-[(3~{R})-1-ethyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H14N2O4S/c1-2-11-7(12)3-6(8(11)13)16-4-5(10)9(14)15/h5-6H,2-4,10H2,1H3,(H,14,15)/t5-,6+/m0/s1 |
| InChIKey | InChI | 1.03 | RPPKKMNJEXCQNS-NTSWFWBYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN1C(=O)C[C@@H](SC[C@H](N)C(O)=O)C1=O |
| SMILES | CACTVS | 3.385 | CCN1C(=O)C[CH](SC[CH](N)C(O)=O)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CCN1C(=O)C[C@H](C1=O)SC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.5 | CCN1C(=O)CC(C1=O)SCC(C(=O)O)N |
