(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[2-(Dodecanoylamino)Acetyl]Amino]-3-Hydroxypropanoyl]Amino]-3-Hydroxypropanoyl]Amino]Hexanoic Acid
[CAS# 130170-10-4]

Identification

• Name: (2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[2-(Dodecanoylamino)Acetyl]Amino]-3-Hydroxypropanoyl]Amino]-3-Hydroxypropanoyl]Amino]Hexanoic Acid
• Synonyms: (2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[2-(Dodecanoylamino)Acetyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]Hexanoic Acid; (2S)-6-Amino-2-[[(2S)-3-Hydroxy-2-[[(2S)-3-Hydroxy-1-Oxo-2-[[1-Oxo-2-(1-Oxododecylamino)Ethyl]Amino]Propyl]Amino]-1-Oxopropyl]Amino]Hexanoic Acid; (2S)-6-Amino-2-[[(2S)-3-Hydroxy-2-[[(2S)-3-Hydroxy-2-[[2-(Lauroylamino)Acetyl]Amino]Propanoyl]Amino]Propanoyl]Amino]Hexanoic Acid
• Molecular Formula: C₂₆H₄₉N₅O₈
• Molecular Weight: 559.70
• CAS Registry Number: 130170-10-4
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](NC(CNC(CCCCCCCCCCC)=O)=O)CO)=O)CO)=O)CCCCN
• InChI: 1S/C26H49N5O8/c1-2-3-4-5-6-7-8-9-10-14-22(34)28-16-23(35)29-20(17-32)24(36)31-21(18-33)25(37)30-19(26(38)39)13-11-12-15-27/h19-21,32-33H,2-18,27H2,1H3,(H,28,34)(H,29,35)(H,30,37)(H,31,36)(H,38,39)/t19-,20-,21-/m0/s1
• InChIKey: UFIOOULPNRLKQF-ACRUOGEOSA-N

Properties

• Density: 1.176g/cm³ (Cal.)
• Boiling point: 948.089°C at 760 mmHg (Cal.)
• Flash point: 527.185°C (Cal.)