2-[[2-[[(1S,2S)-1,3-Dihydroxy-1-(4-Nitrophenyl)Propan-2-Yl]Amino]-2-Oxoacetyl]Amino]Benzoic Acid
[CAS# 76508-91-3]

Identification

• Name: 2-[[2-[[(1S,2S)-1,3-Dihydroxy-1-(4-Nitrophenyl)Propan-2-Yl]Amino]-2-Oxoacetyl]Amino]Benzoic Acid
• Synonyms: 2-[[2-[[(1S,2S)-2-Hydroxy-1-(Hydroxymethyl)-2-(4-Nitrophenyl)Ethyl]Amino]-2-Oxo-Acetyl]Amino]Benzoic Acid; 2-[[2-[[(1S,2S)-2-Hydroxy-1-(Hydroxymethyl)-2-(4-Nitrophenyl)Ethyl]Amino]-1,2-Dioxoethyl]Amino]Benzoic Acid; 2-[[2-[[(1S,2S)-2-Hydroxy-1-Methylol-2-(4-Nitrophenyl)Ethyl]Amino]-2-Keto-Acetyl]Amino]Benzoic Acid
• Molecular Formula: C₁₈H₁₇N₃O₈
• Molecular Weight: 403.35
• CAS Registry Number: 76508-91-3
• SMILES: [C@H](O)(C1=CC=C([N+]([O-])=O)C=C1)[C@@H](NC(=O)C(=O)NC2=CC=CC=C2C(=O)O)CO
• InChI: 1S/C18H17N3O8/c22-9-14(15(23)10-5-7-11(8-6-10)21(28)29)20-17(25)16(24)19-13-4-2-1-3-12(13)18(26)27/h1-8,14-15,22-23H,9H2,(H,19,24)(H,20,25)(H,26,27)/t14-,15-/m0/s1
• InChIKey: QPSKFEACNGWPKD-GJZGRUSLSA-N

Properties

• Density: 1.556g/cm³ (Cal.)