HG7
Summary
| Name: | (2S)-2-azanyl-N-[3-(dimethylamino)propyl]-2-(3-hydroxyphenyl)ethanamide |
| Formula: | C13 H21 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 251.325 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-N-[3-(dimethylamino)propyl]-2-(3-hydroxyphenyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H21N3O2/c1-16(2)8-4-7-15-13(18)12(14)10-5-3-6-11(17)9-10/h3,5-6,9,12,17H,4,7-8,14H2,1-2H3,(H,15,18)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | KSEUOWAHQDFOCP-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN(C)CCCNC(=O)[C@@H](N)c1cccc(O)c1 |
| SMILES | CACTVS | 3.370 | CN(C)CCCNC(=O)[CH](N)c1cccc(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN(C)CCCNC(=O)[C@H](c1cccc(c1)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN(C)CCCNC(=O)C(c1cccc(c1)O)N |
