A1I5W
Summary
| Name: | (2~{S})-4-methyl-2-[[3-[5-(2-methylphenyl)-1,2,3,4-tetrazol-1-yl]-5-(5-methylthiophen-2-yl)phenyl]carbonylamino]pentanoic acid |
| Formula: | C26 H27 N5 O3 S |
| Formal charge: | 0 |
| Formula weight: | 489.589 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-4-methyl-2-[[3-[5-(2-methylphenyl)-1,2,3,4-tetrazol-1-yl]-5-(5-methylthiophen-2-yl)phenyl]carbonylamino]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H27N5O3S/c1-15(2)11-22(26(33)34)27-25(32)19-12-18(23-10-9-17(4)35-23)13-20(14-19)31-24(28-29-30-31)21-8-6-5-7-16(21)3/h5-10,12-15,22H,11H2,1-4H3,(H,27,32)(H,33,34)/t22-/m0/s1 |
| InChIKey | InChI | 1.06 | RNQSSRPQSXPXQB-QFIPXVFZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](NC(=O)c1cc(cc(c1)c2sc(C)cc2)n3nnnc3c4ccccc4C)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](NC(=O)c1cc(cc(c1)c2sc(C)cc2)n3nnnc3c4ccccc4C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1c2nnnn2c3cc(cc(c3)C(=O)N[C@@H](CC(C)C)C(=O)O)c4ccc(s4)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1c2nnnn2c3cc(cc(c3)C(=O)NC(CC(C)C)C(=O)O)c4ccc(s4)C |
