7789-20-0 Purity
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Specification
The molecular formula of Tabilautide is C27H49N5O8.
The molecular weight of Tabilautide is 571.7 g/mol.
The IUPAC name of Tabilautide is (2S,6S)-6,7-diamino-2-[[(4R)-4-carboxy-4-[[(2S)-2-(dodecanoylamino)propanoyl]amino]butanoyl]amino]-7-oxoheptanoic acid.
The InChI of Tabilautide is 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.
The InChIKey of Tabilautide is TUNXCNXMSJZNPO-XSDIEEQYSA-N.
The Canonical SMILES of Tabilautide is CCCCCCCCCCCC(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCC(C(=O)N)N)C(=O)O)C(=O)O.
The UNII for Tabilautide is EZ61NB05TG.
The CAS number for Tabilautide is 78088-46-7.
Tabilautide has 7 hydrogen bond donor counts.
Tabilautide has 24 rotatable bond counts.