(2S)-2-acetamido-N-(1-adamantyl)-3-(4-methylphenyl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-(1-adamantyl)-3-(4-methylphenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-(1-adamantyl)-3-(p-tolylsulfanyl)propanamide CAS Name: (2S)-2-acetamido-N-(1-adamantyl)-3-[(4-methylphenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-(1-adamantyl)-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-(1-adamantyl)-3-(p-tolylthio)propionamide Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(C(=O)NC23CC4CC(C2)CC(C4)C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC[C@H](C(=O)NC23CC4CC(C2)CC(C4)C3)NC(=O)C

InChI

InChI=1S/C22H30N2O2S/c1-14-3-5-19(6-4-14)27-13-20(23-15(2)25)21(26)24-22-10-16-7-17(11-22)9-18(8-16)12-22/h3-6,16-18,20H,7-13H2,1-2H3,(H,23,25)(H,24,26)/t16?,17?,18?,20-,22?/m1/s1