SGO
Summary
| Name: | (3S)-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid |
| Formula: | C22 H25 N O3 |
| Formal charge: | 0 |
| Formula weight: | 351.439 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H25NO3/c1-15-6-9-18(10-7-15)20(14-22(25)26)23-21(24)13-16-8-11-17-4-2-3-5-19(17)12-16/h6-12,20H,2-5,13-14H2,1H3,(H,23,24)(H,25,26)/t20-/m0/s1 |
| InChIKey | InChI | 1.06 | IRCYEUOLXYXORC-FQEVSTJZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)[C@H](CC(O)=O)NC(=O)Cc2ccc3CCCCc3c2 |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1)[CH](CC(O)=O)NC(=O)Cc2ccc3CCCCc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)[C@H](CC(=O)O)NC(=O)Cc2ccc3c(c2)CCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)C(CC(=O)O)NC(=O)Cc2ccc3c(c2)CCCC3 |
