B3E
Summary
| Name: | (3S)-3-AMINOHEXANEDIOIC ACID |
| Formula: | C6 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 161.156 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3S)-3-aminohexanedioic acid |
| OpenEye OEToolkits | 1.5.0 | (3S)-3-aminohexanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCC(N)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCC(O)=O)CC(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CCC(O)=O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CC(=O)O)[C@@H](CC(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CC(=O)O)C(CC(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H11NO4/c7-4(3-6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | XABCFXXGZPWJQP-BYPYZUCNSA-N |
