A1CHS
Summary
| Name: | (4R,5R)-5-amino-N~5~-(2-aminoethyl)-4-hydroxy-L-ornithine |
| Formula: | C7 H18 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 206.243 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (4R,5R)-5-amino-N~5~-(2-aminoethyl)-4-hydroxy-L-ornithine |
| OpenEye OEToolkits | 3.1.0.0 | (2~{S},4~{R},5~{R})-2,5-bis(azanyl)-5-(2-azanylethylamino)-4-oxidanyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NCCNC(N)C(O)CC(N)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C7H18N4O3/c8-1-2-11-6(10)5(12)3-4(9)7(13)14/h4-6,11-12H,1-3,8-10H2,(H,13,14)/t4-,5+,6+/m0/s1 |
| InChIKey | InChI | 1.06 | GPQPITGZTUICDI-KVQBGUIXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCN[C@@H](N)[C@H](O)C[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | NCCN[CH](N)[CH](O)C[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C(CN[C@H]([C@@H](C[C@@H](C(=O)O)N)O)N)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C(CNC(C(CC(C(=O)O)N)O)N)N |
