(2S)-2-acetamido-N-[[(2R)-oxolan-2-yl]methyl]-3-(4-phenoxyphenyl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-[[(2R)-oxolan-2-yl]methyl]-3-(4-phenoxyphenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-3-(4-phenoxyphenyl)sulfanyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propanamide CAS Name: (2S)-2-acetamido-N-[[(2R)-2-oxolanyl]methyl]-3-[(4-phenoxyphenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-[[(2R)-oxolan-2-yl]methyl]-3-(4-phenoxyphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-3-[(4-phenoxyphenyl)thio]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propionamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)NCC3CCCO3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)NC[C@H]3CCCO3

InChI

InChI=1S/C22H26N2O4S/c1-16(25)24-21(22(26)23-14-19-8-5-13-27-19)15-29-20-11-9-18(10-12-20)28-17-6-3-2-4-7-17/h2-4,6-7,9-12,19,21H,5,8,13-15H2,1H3,(H,23,26)(H,24,25)/t19-,21-/m1/s1