AJE
Summary
| Name: | (3S,4R)-4-amino-1-(3-carboxypropanoyl)pyrrolidine-3-carboxylic acid |
| Formula: | C9 H14 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 230.218 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S,4R)-4-amino-1-(3-carboxypropanoyl)pyrrolidine-3-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | (3S,4R)-4-azanyl-1-(4-oxidanyl-4-oxidanylidene-butanoyl)pyrrolidine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N1CC(C(=O)O)C(N)C1)CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H14N2O5/c10-6-4-11(3-5(6)9(15)16)7(12)1-2-8(13)14/h5-6H,1-4,10H2,(H,13,14)(H,15,16)/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | QDGOKWHAZOUJTP-WDSKDSINSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1CN(C[C@@H]1C(O)=O)C(=O)CCC(O)=O |
| SMILES | CACTVS | 3.385 | N[CH]1CN(C[CH]1C(O)=O)C(=O)CCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1[C@@H]([C@H](CN1C(=O)CCC(=O)O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1C(C(CN1C(=O)CCC(=O)O)N)C(=O)O |
