2050-69-3 Purity
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Specification
The molecular formula of Tubulysin A is C43H65N5O10S.
Tubulysin A was created on February 7, 2007, and last modified on December 30, 2023.
The molecular weight of Tubulysin A is 844.1 g/mol.
The IUPAC name of Tubulysin A is (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[3-methylbutanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoic acid.
The InChIKey of Tubulysin A is IBEDDHUHZBDXGB-OEJISELMSA-N.
The Canonical SMILES of Tubulysin A is CCC(C)C(C(=O)N(COC(=O)CC(C)C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=C(C=C2)O)CC(C)C(=O)O)OC(=O)C)C(C)C)NC(=O)C3CCCCN3C.
The CAS number of Tubulysin A is 205304-86-5.
The XLogP3-AA value of Tubulysin A is 4.7.
Tubulysin A has 4 hydrogen bond donor counts.
The topological polar surface area of Tubulysin A is 233 Ų.