Benzyl hydrogen {(2S)-5-(N'-nitrocarbamimidamido)-1-[(4-nitrophenyl)amino]-1-oxo-2-pentanyl}carbonimidate
[CAS# 29028-60-2]

Identification

• Name: Benzyl hydrogen {(2S)-5-(N'-nitrocarbamimidamido)-1-[(4-nitrophenyl)amino]-1-oxo-2-pentanyl}carbonimidate
• Synonyms: Z-Arg(NO2)-pNA
• Molecular Formula: C₂₀H₂₃N₇O₇
• Molecular Weight: 473.44
• CAS Registry Number: 29028-60-2
• SMILES: C1=CC=C(C=C1)CO/C(=N/[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])/O
• InChI: 1S/C20H23N7O7/c21-19(25-27(32)33)22-12-4-7-17(24-20(29)34-13-14-5-2-1-3-6-14)18(28)23-15-8-10-16(11-9-15)26(30)31/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,23,28)(H,24,29)(H3,21,22,25)/t17-/m0/s1
• InChIKey: YXSUFMQQJVVWRC-KRWDZBQOSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Refractive index: 1.649 (Cal.)