Tabilautide
[CAS# 78088-46-7]

Identification

• Name: Tabilautide
• Synonyms: (2S,6S)-6,7-Diamino-2-[[(4R)-4-[[(2S)-2-(Dodecanoylamino)Propanoyl]Amino]-5-Hydroxy-5-Oxo-Pentanoyl]Amino]-7-Oxo-Heptanoic Acid; (2S,6S)-6,7-Diamino-2-[[(4R)-5-Hydroxy-1,5-Dioxo-4-[[(2S)-1-Oxo-2-(1-Oxododecylamino)Propyl]Amino]Pentyl]Amino]-7-Oxoheptanoic Acid; (2S,6S)-6,7-Diamino-2-[[(4R)-5-Hydroxy-5-Keto-4-[[(2S)-2-(Lauroylamino)Propanoyl]Amino]Pentanoyl]Amino]-7-Keto-Enanthic Acid
• Molecular Formula: C₂₇H₄₉N₅O₈
• Molecular Weight: 571.71
• CAS Registry Number: 78088-46-7
• SMILES: [C@H](CCC(N[C@@H](CCC[C@@H](C(N)=O)N)C(O)=O)=O)(NC([C@@H](NC(CCCCCCCCCCC)=O)C)=O)C(O)=O
• InChI: 1S/C27H49N5O8/c1-3-4-5-6-7-8-9-10-11-15-22(33)30-18(2)25(36)32-21(27(39)40)16-17-23(34)31-20(26(37)38)14-12-13-19(28)24(29)35/h18-21H,3-17,28H2,1-2H3,(H2,29,35)(H,30,33)(H,31,34)(H,32,36)(H,37,38)(H,39,40)/t18-,19-,20-,21+/m0/s1
• InChIKey: TUNXCNXMSJZNPO-XSDIEEQYSA-N

Properties

• Density: 1.173g/cm³ (Cal.)
• Boiling point: 943.392°C at 760 mmHg (Cal.)
• Flash point: 524.344°C (Cal.)