2-[2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)oxyacetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[2-ethyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]oxy]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)oxyacetyl]amino]-3-methyl-butyric acid Formula: C26H29N3O6 MolecularWeight: 479.52496

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)NC(C(C)C)C(=O)O)C(=O)C(=O)N

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)NC(C(C)C)C(=O)O)C(=O)C(=O)N

InChI

InChI=1S/C26H29N3O6/c1-4-17-22(24(31)25(27)32)21-18(29(17)13-16-9-6-5-7-10-16)11-8-12-19(21)35-14-20(30)28-23(15(2)3)26(33)34/h5-12,15,23H,4,13-14H2,1-3H3,(H2,27,32)(H,28,30)(H,33,34)