PRD_000695
Summary
| Name: | (2S)-1-[2-[(4-hydroxy-4-oxobutanoyl)amino]acetyl]pyrrolidine-2-carboxylic acid |
| Formula: | C11 H16 N2 O6 |
| Fomular weight: | 272.255 |
| Component type: | peptide-like |
| Polymer sequences: | |
| Non-polymer components: | |
| BIRD class: | Inhibitor |
| Represented as: | polymer |
| Program | Version | Name |
| ACDLabs | 12.01 | N-(3-carboxypropanoyl)glycyl-L-proline |
| OpenEye OEToolkits | 1.7.6 | (2S)-1-[2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]ethanoyl]pyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N1C(C(=O)O)CCC1)CNC(=O)CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H16N2O6/c14-8(3-4-10(16)17)12-6-9(15)13-5-1-2-7(13)11(18)19/h7H,1-6H2,(H,12,14)(H,16,17)(H,18,19) |
| InChIKey | InChI | 1.03 | KIGCMCPBYVQRAD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)CCC(=O)NCC(=O)N1CCC[C@H]1C(O)=O |
| SMILES | CACTVS | 3.370 | OC(=O)CCC(=O)NCC(=O)N1CCC[CH]1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1C[C@H](N(C1)C(=O)CNC(=O)CCC(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1CC(N(C1)C(=O)CNC(=O)CCC(=O)O)C(=O)O |
