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

Systemtic Name: (2S)-2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-3-(4-phenylmethoxyphenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-3-(4-benzyloxyphenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide CAS Name: (2S)-2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-3-[(4-phenylmethoxyphenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-3-(4-phenylmethoxyphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-3-[(4-benzoxyphenyl)thio]-N-[2-(1H-indol-3-yl)ethyl]propionamide Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C28H29N3O3S/c1-20(32)31-27(28(33)29-16-15-22-17-30-26-10-6-5-9-25(22)26)19-35-24-13-11-23(12-14-24)34-18-21-7-3-2-4-8-21/h2-14,17,27,30H,15-16,18-19H2,1H3,(H,29,33)(H,31,32)/t27-/m1/s1