[(2R,3S,4R,5R)-5-(3-aminocarbonyl-1,2,4-triazol-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 2-[4-(2-methylpropyl)phenyl]propanoate

Systemtic Name: [(2R,3S,4R,5R)-5-(3-aminocarbonyl-1,2,4-triazol-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 2-[4-(2-methylpropyl)phenyl]propanoate Openeye Name: [(2R,3S,4R,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 2-(4-isobutylphenyl)propanoate CAS Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid [(2R,3S,4R,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2-[4-(2-methylpropyl)phenyl]propanoate Traditional Name: 2-(4-isobutylphenyl)propionic acid [(2R,3S,4R,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C21H28N4O6 MolecularWeight: 432.47022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCC2C(C(C(O2)N3C=NC(=N3)C(=O)N)O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC(=N3)C(=O)N)O)O

InChI

InChI=1S/C21H28N4O6/c1-11(2)8-13-4-6-14(7-5-13)12(3)21(29)30-9-15-16(26)17(27)20(31-15)25-10-23-19(24-25)18(22)28/h4-7,10-12,15-17,20,26-27H,8-9H2,1-3H3,(H2,22,28)/t12?,15-,16-,17-,20-/m1/s1