(2S)-2-[[4-(6-Amino-3-Oxo-1,2,4-Benzotriazin-2-Yl)Benzoyl]Amino]Pentanedioic Acid
[CAS# 122712-57-6]

Identification

• Name: (2S)-2-[[4-(6-Amino-3-Oxo-1,2,4-Benzotriazin-2-Yl)Benzoyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[[4-(6-Amino-3-Oxo-1,2,4-Benzotriazin-2-Yl)Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-(6-Amino-3-Keto-1,2,4-Benzotriazin-2-Yl)Benzoyl]Amino]Glutaric Acid; (2S)-2-[[4-(6-Amino-3-Oxo-1,2,4-Benzotriazin-2-Yl)Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₁₉H₁₇N₅O₆
• Molecular Weight: 411.37
• CAS Registry Number: 122712-57-6
• SMILES: [C@@H](NC(=O)C3=CC=C(N1N=C2C(=NC1=O)C=C(N)C=C2)C=C3)(C(=O)O)CCC(=O)O
• InChI: 1S/C19H17N5O6/c20-11-3-6-13-15(9-11)22-19(30)24(23-13)12-4-1-10(2-5-12)17(27)21-14(18(28)29)7-8-16(25)26/h1-6,9,14H,7-8,20H2,(H,21,27)(H,25,26)(H,28,29)/t14-/m0/s1
• InChIKey: DWTGBHWQSDBXRT-AWEZNQCLSA-N

Properties

• Density: 1.594g/cm³ (Cal.)