(3R)-1-[(2S)-2-acetamido-3-(4-methylphenyl)sulfanyl-propanoyl]piperidine-3-carboxamide

Systemtic Name: (3R)-1-[(2S)-2-acetamido-3-(4-methylphenyl)sulfanyl-propanoyl]piperidine-3-carboxamide Openeye Name: (3R)-1-[(2S)-2-acetamido-3-(p-tolylsulfanyl)propanoyl]piperidine-3-carboxamide CAS Name: (3R)-1-[(2S)-2-acetamido-3-[(4-methylphenyl)thio]-1-oxopropyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-[(2S)-2-acetamido-3-(4-methylphenyl)sulfanylpropanoyl]piperidine-3-carboxamide Traditional Name: (3R)-1-[(2S)-2-acetamido-3-(p-tolylthio)propanoyl]nipecotamide Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(C(=O)N2CCCC(C2)C(=O)N)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC[C@H](C(=O)N2CCC[C@H](C2)C(=O)N)NC(=O)C

InChI

InChI=1S/C18H25N3O3S/c1-12-5-7-15(8-6-12)25-11-16(20-13(2)22)18(24)21-9-3-4-14(10-21)17(19)23/h5-8,14,16H,3-4,9-11H2,1-2H3,(H2,19,23)(H,20,22)/t14-,16-/m1/s1