58B
Summary
| Name: | L-alanyl-D-alpha-glutamine |
| Formula: | C8 H15 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 217.222 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | L-alanyl-D-alpha-glutamine |
| OpenEye OEToolkits | 1.9.2 | (4R)-5-azanyl-4-[[(2S)-2-azanylpropanoyl]amino]-5-oxidanylidene-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C(NC(C(N)C)=O)C(N)=O)CC(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C8H15N3O4/c1-4(9)8(15)11-5(7(10)14)2-3-6(12)13/h4-5H,2-3,9H2,1H3,(H2,10,14)(H,11,15)(H,12,13)/t4-,5+/m0/s1 |
| InChIKey | InChI | 1.03 | NKUHWWPUOXOIIR-CRCLSJGQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N)C(=O)N[C@H](CCC(O)=O)C(N)=O |
| SMILES | CACTVS | 3.385 | C[CH](N)C(=O)N[CH](CCC(O)=O)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C(=O)NC(CCC(=O)O)C(=O)N)N |
