BDH
Summary
| Name: | L-BETA-ASPARTYLHISTIDINE |
| Formula: | C10 H14 N4 O5 |
| Formal charge: | 0 |
| Formula weight: | 270.242 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | L-beta-aspartyl-L-histidine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-4-[[(2S)-1-hydroxy-3-(3H-imidazol-4-yl)-1-oxo-propan-2-yl]amino]-4-oxo-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CC(=O)NC(C(=O)O)Cc1cncn1 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CC(=O)N[C@@H](Cc1[nH]cnc1)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CC(=O)N[CH](Cc1[nH]cnc1)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c([nH]cn1)C[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c([nH]cn1)CC(C(=O)O)NC(=O)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H14N4O5/c11-6(9(16)17)2-8(15)14-7(10(18)19)1-5-3-12-4-13-5/h3-4,6-7H,1-2,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/t6-,7-/m0/s1 |
| InChIKey | InChI | 1.03 | KABYBYFUSGXITA-BQBZGAKWSA-N |
