N2-(N-(N2-(N2-L-lysyl-L-asparaginyl)-L-glutaminyl)-L-alpha-aspartyl)-L-Lysine
[CAS# 116430-79-6]

Identification

• Name: N2-(N-(N2-(N2-L-lysyl-L-asparaginyl)-L-glutaminyl)-L-alpha-aspartyl)-L-Lysine
• Synonyms: (2S)-6-Amino-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S)-4-Amino-2-[[(2S)-2,6-Diaminohexanoyl]Amino]-4-Oxo-Butanoyl]Amino]-5-Oxo-Pentanoyl]Amino]-4-Hydroxy-4-Oxo-Butanoyl]Amino]Hexanoic Acid; (2S)-6-Amino-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S)-4-Amino-2-[[(2S)-2,6-Diamino-1-Oxohexyl]Amino]-1,4-Dioxobutyl]Amino]-1,5-Dioxopentyl]Amino]-4-Hydroxy-1,4-Dioxobutyl]Amino]Hexanoic Acid; (2S)-6-Amino-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S)-4-Amino-2-[[(2S)-2,6-Diaminohexanoyl]Amino]-4-Keto-Butanoyl]Amino]-5-Keto-Pentanoyl]Amino]-4-Hydroxy-4-Keto-Butanoyl]Amino]Hexanoic Acid
• Molecular Formula: C₂₅H₄₅N₉O₁₀
• Molecular Weight: 631.68
• CAS Registry Number: 116430-79-6
• SMILES: [C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)CC(=O)N)(C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCCN)CC(=O)O)CCC(=O)N
• InChI: 1S/C25H45N9O10/c26-9-3-1-5-13(28)21(39)33-16(11-19(30)36)23(41)31-14(7-8-18(29)35)22(40)34-17(12-20(37)38)24(42)32-15(25(43)44)6-2-4-10-27/h13-17H,1-12,26-28H2,(H2,29,35)(H2,30,36)(H,31,41)(H,32,42)(H,33,39)(H,34,40)(H,37,38)(H,43,44)/t13-,14-,15-,16-,17-/m0/s1
• InChIKey: SJCPCCWQGITHJP-WOYTXXSLSA-N

Properties

• Density: 1.348g/cm³ (Cal.)
• Boiling point: 1225.001°C at 760 mmHg (Cal.)
• Flash point: 694.656°C (Cal.)