T6I
Summary
| Name: | (2R,3S)-3-[[(2S)-2-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid |
| Formula: | C23 H26 F N O3 |
| Formal charge: | 0 |
| Formula weight: | 383.456 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{S})-3-[[(2~{S})-2-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H26FNO3/c1-14-7-9-17(10-8-14)21(15(2)23(27)28)25-22(26)20(24)19-12-11-16-5-3-4-6-18(16)13-19/h7-13,15,20-21H,3-6H2,1-2H3,(H,25,26)(H,27,28)/t15-,20+,21+/m1/s1 |
| InChIKey | InChI | 1.06 | MQNFGUOKPYSZBX-NQERJWCQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]([C@H](NC(=O)[C@@H](F)c1ccc2CCCCc2c1)c3ccc(C)cc3)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH]([CH](NC(=O)[CH](F)c1ccc2CCCCc2c1)c3ccc(C)cc3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)[C@H]([C@@H](C)C(=O)O)NC(=O)[C@H](c2ccc3c(c2)CCCC3)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)C(C(C)C(=O)O)NC(=O)C(c2ccc3c(c2)CCCC3)F |
