V1C
Summary
| Name: | (2S)-2-azanyl-3-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]propanoic acid |
| Formula: | C16 H21 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 287.357 Da |
| Component type: | L-beta-peptide, C-gamma linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H21N3O2/c1-11(2)9-19-10-14(8-18-19)13-5-3-12(4-6-13)7-15(17)16(20)21/h3-6,8,10-11,15H,7,9,17H2,1-2H3,(H,20,21)/t15-/m0/s1 |
| InChIKey | InChI | 1.06 | DJUGBYILAINPAZ-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Cn1cc(cn1)c2ccc(C[C@H](N)C(O)=O)cc2 |
| SMILES | CACTVS | 3.385 | CC(C)Cn1cc(cn1)c2ccc(C[CH](N)C(O)=O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)Cn1cc(cn1)c2ccc(cc2)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)Cn1cc(cn1)c2ccc(cc2)CC(C(=O)O)N |
