A1I5G
Summary
| Name: | (2~{S})-4-methyl-2-[[3-(5-methylthiophen-2-yl)-5-(5-thiophen-3-yl-1,2,3,4-tetrazol-1-yl)phenyl]carbonylamino]pentanoic acid |
| Formula: | C23 H23 N5 O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 481.59 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-4-methyl-2-[[3-(5-methylthiophen-2-yl)-5-(5-thiophen-3-yl-1,2,3,4-tetrazol-1-yl)phenyl]carbonylamino]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H23N5O3S2/c1-13(2)8-19(23(30)31)24-22(29)17-9-16(20-5-4-14(3)33-20)10-18(11-17)28-21(25-26-27-28)15-6-7-32-12-15/h4-7,9-13,19H,8H2,1-3H3,(H,24,29)(H,30,31)/t19-/m0/s1 |
| InChIKey | InChI | 1.06 | IXKSDMHVMIKEIX-IBGZPJMESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](NC(=O)c1cc(cc(c1)c2sc(C)cc2)n3nnnc3c4cscc4)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](NC(=O)c1cc(cc(c1)c2sc(C)cc2)n3nnnc3c4cscc4)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(s1)c2cc(cc(c2)n3c(nnn3)c4ccsc4)C(=O)N[C@@H](CC(C)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(s1)c2cc(cc(c2)n3c(nnn3)c4ccsc4)C(=O)NC(CC(C)C)C(=O)O |
