(2S)-2-acetamido-N-(2-hydroxyethyl)-N-(phenylmethyl)-3-(4-propan-2-ylphenyl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-(2-hydroxyethyl)-N-(phenylmethyl)-3-(4-propan-2-ylphenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-(4-isopropylphenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-(2-hydroxyethyl)-N-(phenylmethyl)-3-[(4-propan-2-ylphenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-(p-cumenylthio)propionamide Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SCC(C(=O)N(CCO)CC2=CC=CC=C2)NC(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SC[C@H](C(=O)N(CCO)CC2=CC=CC=C2)NC(=O)C

InChI

InChI=1S/C23H30N2O3S/c1-17(2)20-9-11-21(12-10-20)29-16-22(24-18(3)27)23(28)25(13-14-26)15-19-7-5-4-6-8-19/h4-12,17,22,26H,13-16H2,1-3H3,(H,24,27)/t22-/m1/s1