Molecule

Tubulysin F

AlkaPlorer ID: AK053122

Synonym: None

IUPAC Name: (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-(propanoyloxymethyl)amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid

Structure

SMILES: CCC(=O)OCN(C(=O)[C@@H](N=C(O)[C@H]1CCCCN1C)[C@@H](C)CC)[C@H](C[C@@H](OC(C)=O)C1=NC(C(O)=N[C@@H](CC2=CC=CC=C2)C[C@H](C)C(=O)O)=CS1)C(C)C

InChI: InChI=1S/C41H61N5O9S/c1-9-26(5)36(44-38(50)32-18-14-15-19-45(32)8)40(51)46(24-54-35(48)10-2)33(25(3)4)22-34(55-28(7)47)39-43-31(23-56-39)37(49)42-30(20-27(6)41(52)53)21-29-16-12-11-13-17-29/h11-13,16-17,23,25-27,30,32-34,36H,9-10,14-15,18-22,24H2,1-8H3,(H,42,49)(H,44,50)(H,52,53)/t26-,27-,30+,32+,33+,34+,36-/m0/s1

InChIKey: RWWMZVCEIUIEHQ-WIIAZBTESA-N

Reference

Isolation, Crystal and Solution Structure Determination, and Biosynthesis of Tubulysins—Powerful Inhibitors of Tubulin Polymerization from Myxobacteria

PubChem CID: 11285812

LOTUS: LTS0231475

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NPAtlas: NPA013163

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Gephyra	Pyralidae	Lepidoptera	Insecta	Arthropoda	Metazoa	Eukaryota

Properties Information

Molecule Weight: 800.0320000000002

TPSA？: 191.52

MolLogP？: 6.783500000000007

Number of H-Donors: 3

Number of H-Acceptors: 11

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi