B2N
Summary
| Name: | (2S)-4-amino-2-(aminomethyl)-4-oxobutanoic acid |
| Formula: | C5 H10 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 146.145 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-4-amino-2-(aminomethyl)-4-oxobutanoic acid |
| OpenEye OEToolkits | 2.0.4 | (2~{S})-2-(aminomethyl)-4-azanyl-4-oxidanylidene-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N)CC(CN)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H10N2O3/c6-2-3(5(9)10)1-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | JNBAANABXDTZJY-VKHMYHEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC[C@H](CC(N)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | NC[CH](CC(N)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C([C@@H](CN)C(=O)O)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.4 | C(C(CN)C(=O)O)C(=O)N |
