4-[[2-[[(1S,2S)-1,3-Dihydroxy-1-(4-Nitrophenyl)Propan-2-Yl]Amino]-2-Oxoacetyl]Amino]-2-Hydroxybenzoic Acid
[CAS# 76508-93-5]

Identification

• Name: 4-[[2-[[(1S,2S)-1,3-Dihydroxy-1-(4-Nitrophenyl)Propan-2-Yl]Amino]-2-Oxoacetyl]Amino]-2-Hydroxybenzoic Acid
• Synonyms: 2-Hydroxy-4-[[2-[[(1S,2S)-2-Hydroxy-1-(Hydroxymethyl)-2-(4-Nitrophenyl)Ethyl]Amino]-2-Oxo-Acetyl]Amino]Benzoic Acid; 2-Hydroxy-4-[[2-[[(1S,2S)-2-Hydroxy-1-(Hydroxymethyl)-2-(4-Nitrophenyl)Ethyl]Amino]-1,2-Dioxoethyl]Amino]Benzoic Acid; 2-Hydroxy-4-[[2-[[(1S,2S)-2-Hydroxy-1-Methylol-2-(4-Nitrophenyl)Ethyl]Amino]-2-Keto-Acetyl]Amino]Benzoic Acid
• Molecular Formula: C₁₈H₁₇N₃O₉
• Molecular Weight: 419.35
• CAS Registry Number: 76508-93-5
• SMILES: [C@H](O)(C1=CC=C([N+]([O-])=O)C=C1)[C@@H](NC(=O)C(=O)NC2=CC=C(C(=C2)O)C(=O)O)CO
• InChI: 1S/C18H17N3O9/c22-8-13(15(24)9-1-4-11(5-2-9)21(29)30)20-17(26)16(25)19-10-3-6-12(18(27)28)14(23)7-10/h1-7,13,15,22-24H,8H2,(H,19,25)(H,20,26)(H,27,28)/t13-,15-/m0/s1
• InChIKey: SMSSBVJWYKNVPK-ZFWWWQNUSA-N

Properties

• Density: 1.628g/cm³ (Cal.)