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

Systemtic Name: (3R)-1-[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)sulfanyl-propanoyl]piperidine-3-carboxamide Openeye Name: (3R)-1-[(2S)-2-acetamido-3-(4-benzyloxyphenyl)sulfanyl-propanoyl]piperidine-3-carboxamide CAS Name: (3R)-1-[(2S)-2-acetamido-1-oxo-3-[(4-phenylmethoxyphenyl)thio]propyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)sulfanylpropanoyl]piperidine-3-carboxamide Traditional Name: (3R)-1-[(2S)-2-acetamido-3-[(4-benzoxyphenyl)thio]propanoyl]nipecotamide Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)N3CCCC(C3)C(=O)N

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)N3CCC[C@H](C3)C(=O)N

InChI

InChI=1S/C24H29N3O4S/c1-17(28)26-22(24(30)27-13-5-8-19(14-27)23(25)29)16-32-21-11-9-20(10-12-21)31-15-18-6-3-2-4-7-18/h2-4,6-7,9-12,19,22H,5,8,13-16H2,1H3,(H2,25,29)(H,26,28)/t19-,22-/m1/s1