(2R)-2-(1-benzofuran-2-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoic acid

Systemtic Name: (2R)-2-(1-benzofuran-2-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoic acid Openeye Name: (2R)-2-(benzofuran-2-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoic acid CAS Name: (2R)-2-[[2-benzofuranylmethoxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-2-methylpropanoic acid IUPAC Name: (2R)-2-(1-benzofuran-2-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoic acid Traditional Name: (2R)-2-(benzofuran-2-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionic acid Formula: C22H20N2O5 MolecularWeight: 394.397142

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)(C(=O)O)NC(=O)OCC3=CC4=CC=CC=C4O3

Isomeric SMILES

[14CH3][C@@](CC1=CNC2=CC=CC=C21)(C(=O)O)NC(=O)OCC3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H20N2O5/c1-22(20(25)26,11-15-12-23-18-8-4-3-7-17(15)18)24-21(27)28-13-16-10-14-6-2-5-9-19(14)29-16/h2-10,12,23H,11,13H2,1H3,(H,24,27)(H,25,26)/t22-/m1/s1/i1+2