4-[2-[(2R)-2-[(E,3S)-5-cyclobutyl-3-oxidanyl-pent-1-enyl]-6-oxidanylidene-piperidin-1-yl]ethylsulfanyl]butanoic acid

Systemtic Name: 4-[2-[(2R)-2-[(E,3S)-5-cyclobutyl-3-oxidanyl-pent-1-enyl]-6-oxidanylidene-piperidin-1-yl]ethylsulfanyl]butanoic acid Openeye Name: 4-[2-[(2R)-2-[(E,3S)-5-cyclobutyl-3-hydroxy-pent-1-enyl]-6-oxo-1-piperidyl]ethylsulfanyl]butanoic acid CAS Name: 4-[2-[(2R)-2-[(E,3S)-5-cyclobutyl-3-hydroxypent-1-enyl]-6-oxo-1-piperidinyl]ethylthio]butanoic acid IUPAC Name: 4-[2-[(2R)-2-[(E,3S)-5-cyclobutyl-3-hydroxypent-1-enyl]-6-oxopiperidin-1-yl]ethylsulfanyl]butanoic acid Traditional Name: 4-[2-[(2R)-2-[(E,3S)-5-cyclobutyl-3-hydroxy-pent-1-enyl]-6-keto-piperidino]ethylthio]butyric acid Formula: C20H33NO4S MolecularWeight: 383.54532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)CCC(C=CC2CCCC(=O)N2CCSCCCC(=O)O)O

Isomeric SMILES

C1C[C@@H](N(C(=O)C1)CCSCCCC(=O)O)/C=C/[C@H](CCC2CCC2)O

InChI

InChI=1S/C20H33NO4S/c22-18(11-9-16-4-1-5-16)12-10-17-6-2-7-19(23)21(17)13-15-26-14-3-8-20(24)25/h10,12,16-18,22H,1-9,11,13-15H2,(H,24,25)/b12-10+/t17-,18+/m1/s1