(2S)-2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)thio]propionamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OC)C(=O)NCCC2=CNC3=CC=CC=C32

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OC)C(=O)NCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C22H25N3O3S/c1-15(26)25-21(14-29-18-9-7-17(28-2)8-10-18)22(27)23-12-11-16-13-24-20-6-4-3-5-19(16)20/h3-10,13,21,24H,11-12,14H2,1-2H3,(H,23,27)(H,25,26)/t21-/m1/s1