(2S)-2-[[4-[(4-Oxo-1H-1,2,3-Benzotriazin-6-Yl)Methylamino]Benzoyl]Amino]Pentanedioic Acid
[CAS# 140410-01-1]

Identification

• Name: (2S)-2-[[4-[(4-Oxo-1H-1,2,3-Benzotriazin-6-Yl)Methylamino]Benzoyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[Oxo-[4-[(4-Oxo-1H-1,2,3-Benzotriazin-6-Yl)Methylamino]Phenyl]Methyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[(4-Keto-1H-1,2,3-Benzotriazin-6-Yl)Methylamino]Benzoyl]Amino]Glutaric Acid; (2S)-2-[[4-[(4-Oxo-1H-1,2,3-Benzotriazin-6-Yl)Methylamino]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₂₀H₁₉N₅O₆
• Molecular Weight: 425.40
• CAS Registry Number: 140410-01-1
• SMILES: [C@@H](NC(=O)C3=CC=C(NCC2=CC=C1NN=NC(=O)C1=C2)C=C3)(C(=O)O)CCC(=O)O
• InChI: 1S/C20H19N5O6/c26-17(27)8-7-16(20(30)31)22-18(28)12-2-4-13(5-3-12)21-10-11-1-6-15-14(9-11)19(29)24-25-23-15/h1-6,9,16,21H,7-8,10H2,(H,22,28)(H,26,27)(H,30,31)(H,23,24,29)/t16-/m0/s1
• InChIKey: YKORUANEKZOBMT-INIZCTEOSA-N

Properties

• Density: 1.541g/cm³ (Cal.)