B3Q
Summary
| Name: | (3S)-3,6-diamino-6-oxohexanoic acid |
| Synonyms: | (S)-beta-3-homoglutamine |
| Formula: | C6 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 160.171 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3S)-3,6-diamino-6-oxohexanoic acid |
| OpenEye OEToolkits | 1.5.0 | (3S)-3,6-diamino-6-oxo-hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N)CCC(N)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCC(N)=O)CC(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CCC(N)=O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CC(=O)N)[C@@H](CC(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CC(=O)N)C(CC(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H12N2O3/c7-4(3-6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H2,8,9)(H,10,11)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | IDNSGZOFDGAHTI-BYPYZUCNSA-N |
