SIC
Summary
| Name: | (2R)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-sulfanylpropanoic acid |
| Formula: | C7 H10 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 218.23 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-sulfanylpropanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-[(3S)-3-amino-2,5-dioxo-pyrrolidin-1-yl]-3-sulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N(C(=O)CC1N)C(C(=O)O)CS |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@H]1CC(=O)N([C@@H](CS)C(O)=O)C1=O |
| SMILES | CACTVS | 3.341 | N[CH]1CC(=O)N([CH](CS)C(O)=O)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H](C(=O)N(C1=O)[C@@H](CS)C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(=O)N(C1=O)C(CS)C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C7H10N2O4S/c8-3-1-5(10)9(6(3)11)4(2-14)7(12)13/h3-4,14H,1-2,8H2,(H,12,13)/t3-,4-/m0/s1 |
| InChIKey | InChI | 1.03 | SZTCYLPUUUGCPP-IMJSIDKUSA-N |
