JLP
Summary
| Name: | (2S)-2-azanyl-6-[E-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylideneamino]hexanoic acid |
| Formula: | C14 H21 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 295.334 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-6-[(~{E})-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylideneamino]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H21N3O4/c1-9-13(19)11(10(8-18)6-17-9)7-16-5-3-2-4-12(15)14(20)21/h6-7,12,18-19H,2-5,8,15H2,1H3,(H,20,21)/b16-7+/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | HTUZUUIBHXGHPK-QFULYMJESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ncc(CO)c(C=NCCCC[C@H](N)C(O)=O)c1O |
| SMILES | CACTVS | 3.385 | Cc1ncc(CO)c(C=NCCCC[CH](N)C(O)=O)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(c(c(cn1)CO)/C=N/CCCC[C@@H](C(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(c(c(cn1)CO)C=NCCCCC(C(=O)O)N)O |
