4-[2-[(6R)-2-oxidanylidene-6-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]piperidin-1-yl]ethylsulfanyl]butanoic acid

Systemtic Name: 4-[2-[(6R)-2-oxidanylidene-6-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]piperidin-1-yl]ethylsulfanyl]butanoic acid Openeye Name: 4-[2-[(2R)-2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-6-oxo-1-piperidyl]ethylsulfanyl]butanoic acid CAS Name: 4-[2-[(2R)-2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-6-oxo-1-piperidinyl]ethylthio]butanoic acid IUPAC Name: 4-[2-[(2R)-2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-6-oxopiperidin-1-yl]ethylsulfanyl]butanoic acid Traditional Name: 4-[2-[(2R)-2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-6-keto-piperidino]ethylthio]butyric acid Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C(=O)C1)CCSCCCC(=O)O)C=CC(CC2=CC=CC=C2)O

Isomeric SMILES

C1C[C@@H](N(C(=O)C1)CCSCCCC(=O)O)/C=C/C(CC2=CC=CC=C2)O

InChI

InChI=1S/C21H29NO4S/c23-19(16-17-6-2-1-3-7-17)12-11-18-8-4-9-20(24)22(18)13-15-27-14-5-10-21(25)26/h1-3,6-7,11-12,18-19,23H,4-5,8-10,13-16H2,(H,25,26)/b12-11+/t18-,19?/m1/s1