(2S)-2-Amino-6-[[(5S)-5-Amino-6-Hydroxy-6-Oxohexylidene]Amino]Hexanoic Acid
[CAS# 31504-14-0]

Identification

• Name: (2S)-2-Amino-6-[[(5S)-5-Amino-6-Hydroxy-6-Oxohexylidene]Amino]Hexanoic Acid
• Synonyms: (2S)-2-Amino-6-[[(5S)-5-Amino-6-Hydroxy-6-Oxo-Hexylidene]Amino]Hexanoic Acid; (2S)-2-Amino-6-[[(5S)-5-Amino-6-Hydroxy-6-Keto-Hexylidene]Amino]Hexanoic Acid; Dehydro-Lys-Nle
• Molecular Formula: C₁₂H₂₃N₃O₄
• Molecular Weight: 273.33
• CAS Registry Number: 31504-14-0
• SMILES: [C@H](C(=O)O)(N)CCCCN=CCCC[C@@H](C(=O)O)N
• InChI: 1S/C12H23N3O4/c13-9(11(16)17)5-1-3-7-15-8-4-2-6-10(14)12(18)19/h7,9-10H,1-6,8,13-14H2,(H,16,17)(H,18,19)/t9-,10-/m0/s1
• InChIKey: WUNYOHVNZQIDME-UWVGGRQHSA-N

Properties

• Density: 1.282g/cm³ (Cal.)
• Boiling point: 519.072°C at 760 mmHg (Cal.)
• Flash point: 267.726°C (Cal.)