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

Systemtic Name: methyl (2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[3-[(4-fluorophenyl)thio]-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[3-[(4-fluorophenyl)thio]propanoylamino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C21H21FN2O3S MolecularWeight: 400.466443

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN2O3S/c1-27-21(26)19(12-14-13-23-18-5-3-2-4-17(14)18)24-20(25)10-11-28-16-8-6-15(22)7-9-16/h2-9,13,19,23H,10-12H2,1H3,(H,24,25)/t19-/m1/s1