OLN
Summary
| Name: | (S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACID |
| Synonyms: | N-ACETYL-L-CITRULLINE |
| Formula: | C8 H15 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 217.222 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N~2~-acetyl-N~5~-carbamoyl-L-ornithine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-acetamido-5-(aminocarbonylamino)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NC(=O)C)CCCNC(=O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N[C@@H](CCCNC(N)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(=O)N[CH](CCCNC(N)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N[C@@H](CCCNC(=O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NC(CCCNC(=O)N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H15N3O4/c1-5(12)11-6(7(13)14)3-2-4-10-8(9)15/h6H,2-4H2,1H3,(H,11,12)(H,13,14)(H3,9,10,15)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | WMQMIOYQXNRROC-LURJTMIESA-N |
