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

Systemtic Name: (2S)-2-acetamido-N-(2-hydroxyethyl)-3-(4-methylphenyl)sulfanyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-(p-tolylsulfanyl)propanamide CAS Name: (2S)-2-acetamido-N-(2-hydroxyethyl)-3-[(4-methylphenyl)thio]-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-(p-tolylthio)propionamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(C(=O)N(CCO)CC2=CC=CC=C2)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC[C@H](C(=O)N(CCO)CC2=CC=CC=C2)NC(=O)C

InChI

InChI=1S/C21H26N2O3S/c1-16-8-10-19(11-9-16)27-15-20(22-17(2)25)21(26)23(12-13-24)14-18-6-4-3-5-7-18/h3-11,20,24H,12-15H2,1-2H3,(H,22,25)/t20-/m1/s1