(E)-3-(2,4-Dioxo-1H-Pyrimidin-5-Yl)-N-[(2S)-1-Hydroxy-3-[(R)-Pentylsulfanylmethylsulfinyl]Propan-2-Yl]Prop-2-Enamide
[CAS# 114991-34-3]

Identification

• Name: (E)-3-(2,4-Dioxo-1H-Pyrimidin-5-Yl)-N-[(2S)-1-Hydroxy-3-[(R)-Pentylsulfanylmethylsulfinyl]Propan-2-Yl]Prop-2-Enamide
• Synonyms: (E)-3-(2,4-Dioxo-1H-Pyrimidin-5-Yl)-N-[(1S)-1-(Hydroxymethyl)-2-[(R)-Pentylsulfanylmethylsulfinyl]Ethyl]Prop-2-Enamide; (E)-3-(2,4-Dioxo-1H-Pyrimidin-5-Yl)-N-[(1S)-1-(Hydroxymethyl)-2-[(R)-(Pentylthio)Methylsulfinyl]Ethyl]Prop-2-Enamide; (E)-N-[(1S)-1-[[(R)-(Amylthio)Methylsulfinyl]Methyl]-2-Hydroxy-Ethyl]-3-(2,4-Diketo-1H-Pyrimidin-5-Yl)Acrylamide
• Molecular Formula: C₁₆H₂₅N₃O₅S₂
• Molecular Weight: 403.51
• CAS Registry Number: 114991-34-3
• SMILES: [S@@](=O)(C[C@@H](NC(=O)/C=C/C1=CNC(=O)NC1=O)CO)CSCCCCC
• InChI: 1S/C16H25N3O5S2/c1-2-3-4-7-25-11-26(24)10-13(9-20)18-14(21)6-5-12-8-17-16(23)19-15(12)22/h5-6,8,13,20H,2-4,7,9-11H2,1H3,(H,18,21)(H2,17,19,22,23)/b6-5+/t13-,26+/m0/s1
• InChIKey: QFVBTSYZDWPEKY-CWDVNNBASA-N