N-Nitratopivaloyl-S-(N'-acetylalanyl)-cysteine ethyl ester
[CAS# 139146-66-0]

Identification

• Name: N-Nitratopivaloyl-S-(N'-acetylalanyl)-cysteine ethyl ester
• Synonyms: (2S)-2-Acetamidopropanoic Acid; [3-[[(1R)-1-(Ethenoxymethyl)-2-Thioxo-Ethyl]Amino]-2,2-Dimethyl-3-Oxo-Propyl] Nitrate; (2S)-2-Acetamidopropanoic Acid; Nitric Acid [3-[[(1R)-1-(Ethenoxymethyl)-2-Thioxoethyl]Amino]-2,2-Dimethyl-3-Oxopropyl] Ester; (2S)-2-Acetamidopropionic Acid; Nitric Acid [3-[[(1R)-1-(Ethenoxymethyl)-2-Thioxo-Ethyl]Amino]-3-Keto-2,2-Dimethyl-Propyl] Ester
• Molecular Formula: C₁₅H₂₅N₃O₈S
• Molecular Weight: 407.44
• CAS Registry Number: 139146-66-0
• SMILES: [C@@H](NC(=O)C(CO[N+]([O-])=O)(C)C)(COC=C)C=S.[C@@H](NC(=O)C)(C(=O)O)C
• InChI: 1S/C10H16N2O5S.C5H9NO3/c1-4-16-5-8(6-18)11-9(13)10(2,3)7-17-12(14)15;1-3(5(8)9)6-4(2)7/h4,6,8H,1,5,7H2,2-3H3,(H,11,13);3H,1-2H3,(H,6,7)(H,8,9)/t8-;3-/m10/s1
• InChIKey: ZONOMVGGONAQQA-QTBHSTJXSA-N