NCD
Summary
| Name: | N-CARBAMOYL-L-ASPARTATE |
| Formula: | C5 H8 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 176.127 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-carbamoyl-L-aspartic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-(aminocarbonylamino)butanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NC(=O)N)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=O)N[C@@H](CC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | NC(=O)N[CH](CC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H](C(=O)O)NC(=O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(=O)O)NC(=O)N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)/t2-/m0/s1 |
| InChIKey | InChI | 1.03 | HLKXYZVTANABHZ-REOHCLBHSA-N |
