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

Systemtic Name: (2S)-2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-3-(4-phenoxyphenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-3-(4-phenoxyphenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-3-[(4-phenoxyphenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-3-(4-phenoxyphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-3-[(4-phenoxyphenyl)thio]propionamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C27H27N3O3S/c1-19(31)30-26(27(32)28-16-15-20-17-29-25-10-6-5-9-24(20)25)18-34-23-13-11-22(12-14-23)33-21-7-3-2-4-8-21/h2-14,17,26,29H,15-16,18H2,1H3,(H,28,32)(H,30,31)/t26-/m1/s1