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

Systemtic Name: 2-[2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)oxyacetyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[[2-ethyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]oxy]-1-oxoethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)oxyacetyl]amino]-3-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(C(C)CC)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)CC)C(=O)O)C(=O)C(=O)N

InChI

InChI=1S/C27H31N3O6/c1-4-16(3)24(27(34)35)29-21(31)15-36-20-13-9-12-19-22(20)23(25(32)26(28)33)18(5-2)30(19)14-17-10-7-6-8-11-17/h6-13,16,24H,4-5,14-15H2,1-3H3,(H2,28,33)(H,29,31)(H,34,35)