SIU
Summary
| Name: | (2R,3S)-2-methyl-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid |
| Formula: | C23 H27 N O3 |
| Formal charge: | 0 |
| Formula weight: | 365.465 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{S})-2-methyl-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/C23H27NO3/c1-15-7-10-19(11-8-15)22(16(2)23(26)27)24-21(25)14-17-9-12-18-5-3-4-6-20(18)13-17/h7-13,16,22H,3-6,14H2,1-2H3,(H,24,25)(H,26,27)/t16-,22+/m1/s1 |
| InChIKey | InChI | 1.06 | HBAMGJXBHJDNHV-ZHRRBRCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]([C@H](NC(=O)Cc1ccc2CCCCc2c1)c3ccc(C)cc3)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH]([CH](NC(=O)Cc1ccc2CCCCc2c1)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)Cc2ccc3c(c2)CCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)C(C(C)C(=O)O)NC(=O)Cc2ccc3c(c2)CCCC3 |
