methyl (2R)-3-(1H-indol-3-yl)-2-(2-phenylsulfanylpropanoylamino)propanoate

Systemtic Name: methyl (2R)-3-(1H-indol-3-yl)-2-(2-phenylsulfanylpropanoylamino)propanoate Openeye Name: methyl (2R)-3-(1H-indol-3-yl)-2-(2-phenylsulfanylpropanoylamino)propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[1-oxo-2-(phenylthio)propyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(1H-indol-3-yl)-2-(2-phenylsulfanylpropanoylamino)propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[2-(phenylthio)propanoylamino]propionic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC)SC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)OC)SC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-14(27-16-8-4-3-5-9-16)20(24)23-19(21(25)26-2)12-15-13-22-18-11-7-6-10-17(15)18/h3-11,13-14,19,22H,12H2,1-2H3,(H,23,24)/t14?,19-/m1/s1