XFW
Summary
| Name: | (2S)-2,5,5-tris(azanyl)pentanoic acid |
| Formula: | C5 H13 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 147.176 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-amino-L-ornithine |
| OpenEye OEToolkits | 1.9.2 | (2S)-2,5,5-tris(azanyl)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CCC(N)N |
| InChI | InChI | 1.03 | InChI=1S/C5H13N3O2/c6-3(5(9)10)1-2-4(7)8/h3-4H,1-2,6-8H2,(H,9,10)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | JBMDZSNFTLLGKG-VKHMYHEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(N)CC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | NC(N)CC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C(CC(N)N)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | C(CC(N)N)C(C(=O)O)N |
