Lysyl-tyrosyl-serine acetate
[CAS# 131400-71-0]

Identification

• Name: Lysyl-tyrosyl-serine acetate
• Synonyms: Acetic Acid; (2S)-2-[[(2S)-2-[[(2S)-2,6-Diaminohexanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Hydroxy-Propanoic Acid; Acetic Acid; (2S)-2-[[(2S)-2-[[(2S)-2,6-Diamino-1-Oxohexyl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-3-Hydroxypropanoic Acid; Acetic Acid; (2S)-2-[[(2S)-2-[[(2S)-2,6-Diaminohexanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Hydroxy-Propionic Acid
• Molecular Formula: C₂₂H₃₆N₄O₁₀
• Molecular Weight: 516.55
• CAS Registry Number: 131400-71-0
• SMILES: [C@@H](NC(=O)[C@@H](N)CCCCN)(C(=O)N[C@H](C(=O)O)CO)CC1=CC=C(O)C=C1.CC(=O)O.CC(=O)O
• InChI: 1S/C18H28N4O6.2C2H4O2/c19-8-2-1-3-13(20)16(25)21-14(9-11-4-6-12(24)7-5-11)17(26)22-15(10-23)18(27)28;2*1-2(3)4/h4-7,13-15,23-24H,1-3,8-10,19-20H2,(H,21,25)(H,22,26)(H,27,28);2*1H3,(H,3,4)/t13-,14-,15-;;/m0../s1
• InChIKey: GGHXUBMAQXMCGT-VZXRKJOKSA-N

Properties

• Boiling point: 834.1°C at 760 mmHg (Cal.)
• Flash point: 458.2°C (Cal.)