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

Systemtic Name: (3R)-1-[(2S)-2-acetamido-3-(4-propan-2-ylphenyl)sulfanyl-propanoyl]piperidine-3-carboxamide Openeye Name: (3R)-1-[(2S)-2-acetamido-3-(4-isopropylphenyl)sulfanyl-propanoyl]piperidine-3-carboxamide CAS Name: (3R)-1-[(2S)-2-acetamido-1-oxo-3-[(4-propan-2-ylphenyl)thio]propyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-[(2S)-2-acetamido-3-(4-propan-2-ylphenyl)sulfanylpropanoyl]piperidine-3-carboxamide Traditional Name: (3R)-1-[(2S)-2-acetamido-3-(p-cumenylthio)propanoyl]nipecotamide Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O3S/c1-13(2)15-6-8-17(9-7-15)27-12-18(22-14(3)24)20(26)23-10-4-5-16(11-23)19(21)25/h6-9,13,16,18H,4-5,10-12H2,1-3H3,(H2,21,25)(H,22,24)/t16-,18-/m1/s1