(2R)-3-(1H-indol-3-yl)-2-[3-(4-methylphenyl)sulfanylpropanoylamino]propanoate

Systemtic Name: (2R)-3-(1H-indol-3-yl)-2-[3-(4-methylphenyl)sulfanylpropanoylamino]propanoate Openeye Name: (2R)-3-(1H-indol-3-yl)-2-[3-(p-tolylsulfanyl)propanoylamino]propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]propanoate IUPAC Name: (2R)-3-(1H-indol-3-yl)-2-[3-(4-methylphenyl)sulfanylpropanoylamino]propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[3-(p-tolylthio)propanoylamino]propionate Formula: C21H21N2O3S- MolecularWeight: 381.46804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C21H22N2O3S/c1-14-6-8-16(9-7-14)27-11-10-20(24)23-19(21(25)26)12-15-13-22-18-5-3-2-4-17(15)18/h2-9,13,19,22H,10-12H2,1H3,(H,23,24)(H,25,26)/p-1/t19-/m1/s1