8V0
Summary
| Name: | (2~{S})-2-(3-azanylpropanoylamino)-3-(1~{H}-imidazol-4-yl)propanoic acid |
| Formula: | C9 H14 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 226.232 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-(3-azanylpropanoylamino)-3-(1~{H}-imidazol-4-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | CQOVPNPJLQNMDC-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O |
| SMILES | CACTVS | 3.385 | NCCC(=O)N[CH](Cc1c[nH]cn1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(nc[nH]1)C[C@@H](C(=O)O)NC(=O)CCN |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c(nc[nH]1)CC(C(=O)O)NC(=O)CCN |
