(2S)-3-methyl-2-[2-(5-phenylmethoxyindol-1-yl)ethanoylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[2-(5-phenylmethoxyindol-1-yl)ethanoylamino]butanoic acid Openeye Name: (2S)-2-[[2-(5-benzyloxyindol-1-yl)acetyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-3-methyl-2-[[1-oxo-2-(5-phenylmethoxy-1-indolyl)ethyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[[2-(5-phenylmethoxyindol-1-yl)acetyl]amino]butanoic acid Traditional Name: (2S)-2-[[2-(5-benzoxyindol-1-yl)acetyl]amino]-3-methyl-butyric acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CN1C=CC2=C1C=CC(=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)CN1C=CC2=C1C=CC(=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O4/c1-15(2)21(22(26)27)23-20(25)13-24-11-10-17-12-18(8-9-19(17)24)28-14-16-6-4-3-5-7-16/h3-12,15,21H,13-14H2,1-2H3,(H,23,25)(H,26,27)/t21-/m0/s1