(2R)-2-[2-[4-[[(3S)-3-Carboxy-3,5-Dihydroxy-5-Oxopentanoyl]Amino]Butylamino]-2-Oxoethyl]-2-Hydroxybutanedioic Acid
[CAS# 138846-62-5]

Identification

• Name: (2R)-2-[2-[4-[[(3S)-3-Carboxy-3,5-Dihydroxy-5-Oxopentanoyl]Amino]Butylamino]-2-Oxoethyl]-2-Hydroxybutanedioic Acid
• Synonyms: (2R)-2-[2-[4-[[(3S)-3-Carboxy-3,5-Dihydroxy-5-Oxo-Pentanoyl]Amino]Butylamino]-2-Oxo-Ethyl]-2-Hydroxy-Butanedioic Acid; (2R)-2-[2-[4-[[(3S)-3-Carboxy-3,5-Dihydroxy-1,5-Dioxopentyl]Amino]Butylamino]-2-Oxoethyl]-2-Hydroxybutanedioic Acid; (2R)-2-[2-[4-[[(3S)-3-Carboxy-3,5-Dihydroxy-5-Keto-Pentanoyl]Amino]Butylamino]-2-Keto-Ethyl]-2-Hydroxy-Succinic Acid
• Molecular Formula: C₁₆H₂₄N₂O₁₂
• Molecular Weight: 436.37
• CAS Registry Number: 138846-62-5
• SMILES: [C@@](CC(=O)NCCCCNC(C[C@](C(=O)O)(CC(=O)O)O)=O)(C(=O)O)(CC(=O)O)O
• InChI: 1S/C16H24N2O12/c19-9(5-15(29,13(25)26)7-11(21)22)17-3-1-2-4-18-10(20)6-16(30,14(27)28)8-12(23)24/h29-30H,1-8H2,(H,17,19)(H,18,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28)/t15-,16+
• InChIKey: KUYCNLUJQMRORQ-IYBDPMFKSA-N

Properties

• Density: 1.569g/cm³ (Cal.)
• Boiling point: 852.768°C at 760 mmHg (Cal.)
• Flash point: 469.538°C (Cal.)