N-(2,3-Dihydroxybenzoyl)-L-alanyl-L-threonine
[CAS# 88167-28-6]

Identification

• Name: N-(2,3-Dihydroxybenzoyl)-L-alanyl-L-threonine
• Synonyms: (2,3-Dihydroxybenzoyl)alanylthreonine; (2,3-dihydroxybenzoyl)-L-alanyl-L-threonine; Bu 2743E
• Molecular Formula: C₁₄H₁₈N₂O₇
• Molecular Weight: 326.30
• CAS Registry Number: 88167-28-6
• SMILES: O=C(O)[C@@H](NC(=O)[C@@H](NC(=O)c1cccc(O)c1O)C)[C@H](O)C
• InChI: 1S/C14H18N2O7/c1-6(12(20)16-10(7(2)17)14(22)23)15-13(21)8-4-3-5-9(18)11(8)19/h3-7,10,17-19H,1-2H3,(H,15,21)(H,16,20)(H,22,23)/t6-,7+,10-/m0/s1
• InChIKey: XVYSGUYPIMZAAK-PJKMHFRUSA-N

Properties

• Density: 1.451g/cm³ (Cal.)
• Boiling point: 680.388°C at 760 mmHg (Cal.)
• Flash point: 365.286°C (Cal.)