(3R)-1-[(2S)-2-acetamido-3-phenylsulfanyl-propanoyl]piperidine-3-carboxamide

Systemtic Name: (3R)-1-[(2S)-2-acetamido-3-phenylsulfanyl-propanoyl]piperidine-3-carboxamide Openeye Name: (3R)-1-[(2S)-2-acetamido-3-phenylsulfanyl-propanoyl]piperidine-3-carboxamide CAS Name: (3R)-1-[(2S)-2-acetamido-1-oxo-3-(phenylthio)propyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-[(2S)-2-acetamido-3-phenylsulfanylpropanoyl]piperidine-3-carboxamide Traditional Name: (3R)-1-[(2S)-2-acetamido-3-(phenylthio)propanoyl]nipecotamide Formula: C17H23N3O3S MolecularWeight: 349.44782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=CC=C1)C(=O)N2CCCC(C2)C(=O)N

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=CC=C1)C(=O)N2CCC[C@H](C2)C(=O)N

InChI

InChI=1S/C17H23N3O3S/c1-12(21)19-15(11-24-14-7-3-2-4-8-14)17(23)20-9-5-6-13(10-20)16(18)22/h2-4,7-8,13,15H,5-6,9-11H2,1H3,(H2,18,22)(H,19,21)/t13-,15-/m1/s1