(2R)-2-[[2-(Benzoylamino)Acetyl]Amino]-6-[[(2R,3S,4R,5R)-2,3,4,5-Tetrahydroxyoxan-2-Yl]Methylamino]Hexanoic Acid
[CAS# 139950-87-1]

Identification

• Name: (2R)-2-[[2-(Benzoylamino)Acetyl]Amino]-6-[[(2R,3S,4R,5R)-2,3,4,5-Tetrahydroxyoxan-2-Yl]Methylamino]Hexanoic Acid
• Synonyms: (2R)-2-[[2-(Benzoylamino)Acetyl]Amino]-6-[[(2R,3S,4R,5R)-2,3,4,5-Tetrahydroxytetrahydropyran-2-Yl]Methylamino]Hexanoic Acid; (2R)-2-[[1-Oxo-2-[(Oxo-Phenylmethyl)Amino]Ethyl]Amino]-6-[[(2R,3S,4R,5R)-2,3,4,5-Tetrahydroxy-2-Tetrahydropyranyl]Methylamino]Hexanoic Acid; (2R)-2-[2-(Phenylcarbonylamino)Ethanoylamino]-6-[[(2R,3S,4R,5R)-2,3,4,5-Tetrahydroxyoxan-2-Yl]Methylamino]Hexanoic Acid
• Molecular Formula: C₂₁H₃₁N₃O₉
• Molecular Weight: 469.49
• CAS Registry Number: 139950-87-1
• SMILES: [C@@H]1([C@H]([C@@H]([C@@](OC1)(O)CNCCCC[C@H](C(O)=O)NC(=O)CNC(=O)C2=CC=CC=C2)O)O)O
• InChI: 1S/C21H31N3O9/c25-15-11-33-21(32,18(28)17(15)27)12-22-9-5-4-8-14(20(30)31)24-16(26)10-23-19(29)13-6-2-1-3-7-13/h1-3,6-7,14-15,17-18,22,25,27-28,32H,4-5,8-12H2,(H,23,29)(H,24,26)(H,30,31)/t14-,15-,17-,18+,21-/m1/s1
• InChIKey: DJDWCZDCENIWRI-WEAZEUSYSA-N

Properties

• Density: 1.416g/cm³ (Cal.)
• Boiling point: 844.817°C at 760 mmHg (Cal.)
• Flash point: 464.729°C (Cal.)