3-[4-[(5R)-2-oxidanylidene-5-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]pyrrolidin-1-yl]butylsulfanyl]propanoic acid

Systemtic Name: 3-[4-[(5R)-2-oxidanylidene-5-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]pyrrolidin-1-yl]butylsulfanyl]propanoic acid Openeye Name: 3-[4-[(2R)-2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-5-oxo-pyrrolidin-1-yl]butylsulfanyl]propanoic acid CAS Name: 3-[4-[(2R)-2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-5-oxo-1-pyrrolidinyl]butylthio]propanoic acid IUPAC Name: 3-[4-[(2R)-2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-5-oxopyrrolidin-1-yl]butylsulfanyl]propanoic acid Traditional Name: 3-[4-[(2R)-2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-5-keto-pyrrolidino]butylthio]propionic acid Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1C=CC(CC2=CC=CC=C2)O)CCCCSCCC(=O)O

Isomeric SMILES

C1CC(=O)N([C@H]1/C=C/C(CC2=CC=CC=C2)O)CCCCSCCC(=O)O

InChI

InChI=1S/C21H29NO4S/c23-19(16-17-6-2-1-3-7-17)10-8-18-9-11-20(24)22(18)13-4-5-14-27-15-12-21(25)26/h1-3,6-8,10,18-19,23H,4-5,9,11-16H2,(H,25,26)/b10-8+/t18-,19?/m0/s1