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

Systemtic Name: 2-[2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)oxyacetyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[2-ethyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]oxy]-1-oxoethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)oxyacetyl]amino]-4-methyl-valeric acid Formula: C27H31N3O6 MolecularWeight: 493.55154

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H31N3O6/c1-4-19-24(25(32)26(28)33)23-20(30(19)14-17-9-6-5-7-10-17)11-8-12-21(23)36-15-22(31)29-18(27(34)35)13-16(2)3/h5-12,16,18H,4,13-15H2,1-3H3,(H2,28,33)(H,29,31)(H,34,35)