4-[[2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-3-phenyl-butanoic acid

Systemtic Name: 4-[[2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-3-phenyl-butanoic acid Openeye Name: 4-[[2-(benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-3-phenyl-butanoic acid CAS Name: 4-[[2-(2-benzofuranylmethylamino)-3-(1H-indol-3-yl)-2-methyl-1-oxopropyl]amino]-3-phenylbutanoic acid IUPAC Name: 4-[[2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-3-phenylbutanoic acid Traditional Name: 4-[[2-(benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-3-phenyl-butyric acid Formula: C31H31N3O4 MolecularWeight: 509.59554

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)(C(=O)NCC(CC(=O)O)C3=CC=CC=C3)NCC4=CC5=CC=CC=C5O4

Isomeric SMILES

CC(CC1=CNC2=CC=CC=C21)(C(=O)NCC(CC(=O)O)C3=CC=CC=C3)NCC4=CC5=CC=CC=C5O4

InChI

InChI=1S/C31H31N3O4/c1-31(17-24-19-32-27-13-7-6-12-26(24)27,34-20-25-15-22-11-5-8-14-28(22)38-25)30(37)33-18-23(16-29(35)36)21-9-3-2-4-10-21/h2-15,19,23,32,34H,16-18,20H2,1H3,(H,33,37)(H,35,36)