C5S
Summary
| Name: | N-formyl-D-aspartic acid |
| Formula: | C5 H7 N O5 |
| Formal charge: | 0 |
| Formula weight: | 161.113 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-formyl-D-aspartic acid |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-2-formamidobutanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C(=O)O)C(C(O)=O)NC=O |
| InChI | InChI | 1.03 | InChI=1S/C5H7NO5/c7-2-6-3(5(10)11)1-4(8)9/h2-3H,1H2,(H,6,7)(H,8,9)(H,10,11)/t3-/m1/s1 |
| InChIKey | InChI | 1.03 | MQUUQXIFCBBFDP-GSVOUGTGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C[C@@H](NC=O)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)C[CH](NC=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C([C@H](C(=O)O)NC=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(C(C(=O)O)NC=O)C(=O)O |
