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

Systemtic Name: (2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide Openeye Name: (2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide CAS Name: (2S)-2-acetamido-3-[(4-butylphenyl)thio]-N-[2-(1H-indol-3-yl)ethyl]propanamide IUPAC Name: (2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide Traditional Name: (2S)-2-acetamido-3-[(4-butylphenyl)thio]-N-[2-(1H-indol-3-yl)ethyl]propionamide Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)SCC(C(=O)NCCC2=CNC3=CC=CC=C32)NC(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)SC[C@H](C(=O)NCCC2=CNC3=CC=CC=C32)NC(=O)C

InChI

InChI=1S/C25H31N3O2S/c1-3-4-7-19-10-12-21(13-11-19)31-17-24(28-18(2)29)25(30)26-15-14-20-16-27-23-9-6-5-8-22(20)23/h5-6,8-13,16,24,27H,3-4,7,14-15,17H2,1-2H3,(H,26,30)(H,28,29)/t24-/m1/s1