(2S)-4-methylsulfanyl-2-[2-(5-phenylmethoxyindol-1-yl)ethanoylamino]butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-[2-(5-phenylmethoxyindol-1-yl)ethanoylamino]butanoic acid Openeye Name: (2S)-2-[[2-(5-benzyloxyindol-1-yl)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-2-(5-phenylmethoxy-1-indolyl)ethyl]amino]butanoic acid IUPAC Name: (2S)-4-methylsulfanyl-2-[[2-(5-phenylmethoxyindol-1-yl)acetyl]amino]butanoic acid Traditional Name: (2S)-2-[[2-(5-benzoxyindol-1-yl)acetyl]amino]-4-(methylthio)butyric acid Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-29-12-10-19(22(26)27)23-21(25)14-24-11-9-17-13-18(7-8-20(17)24)28-15-16-5-3-2-4-6-16/h2-9,11,13,19H,10,12,14-15H2,1H3,(H,23,25)(H,26,27)/t19-/m0/s1