(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-Hydroxypropanoyl]Amino]-4-Hydroxy-4-Oxobutanoyl]Amino]-6-Aminohexanoic Acid
[CAS# 127103-04-2]

Identification

• Name: (2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-Hydroxypropanoyl]Amino]-4-Hydroxy-4-Oxobutanoyl]Amino]-6-Aminohexanoic Acid
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-Hydroxy-Propanoyl]Amino]-4-Hydroxy-4-Oxo-Butanoyl]Amino]-6-Amino-Hexanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-Hydroxy-1-Oxopropyl]Amino]-4-Hydroxy-1,4-Dioxobutyl]Amino]-6-Aminohexanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-Hydroxy-Propanoyl]Amino]-4-Hydroxy-4-Keto-Butanoyl]Amino]-6-Amino-Hexanoic Acid
• Molecular Formula: C₁₅H₂₆N₄O₈
• Molecular Weight: 390.39
• CAS Registry Number: 127103-04-2
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](NC(=O)C)CO)=O)CC(=O)O)=O)CCCCN
• InChI: 1S/C15H26N4O8/c1-8(21)17-11(7-20)14(25)19-10(6-12(22)23)13(24)18-9(15(26)27)4-2-3-5-16/h9-11,20H,2-7,16H2,1H3,(H,17,21)(H,18,24)(H,19,25)(H,22,23)(H,26,27)/t9-,10-,11-/m0/s1
• InChIKey: WFWBMKSQFOYZPM-DCAQKATOSA-N

Properties

• Density: 1.367g/cm³ (Cal.)
• Boiling point: 893.503°C at 760 mmHg (Cal.)
• Flash point: 494.173°C (Cal.)