Molecule

Tubulysin C

AlkaPlorer ID: AK053112

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]-5-(4-hydroxyphenyl)-2-methylpentanoic 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=C(O)C=C2)C[C@H](C)C(=O)O)=CS1)C(C)C

InChI: InChI=1S/C41H61N5O10S/c1-9-25(5)36(44-38(51)32-13-11-12-18-45(32)8)40(52)46(23-55-35(49)10-2)33(24(3)4)21-34(56-27(7)47)39-43-31(22-57-39)37(50)42-29(19-26(6)41(53)54)20-28-14-16-30(48)17-15-28/h14-17,22,24-26,29,32-34,36,48H,9-13,18-21,23H2,1-8H3,(H,42,50)(H,44,51)(H,53,54)/t25-,26-,29+,32+,33+,34+,36-/m0/s1

InChIKey: NZCNGJHOIKMMCG-UZRVFEFTSA-N

Reference

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

PubChem CID: 11262920

LOTUS: LTS0121563

SuperNatural Ⅲ: SN0259084-01

{

NPAtlas: NPA009616

Source

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

Properties Information

Molecule Weight: 816.0310000000002

TPSA？: 211.75

MolLogP？: 6.489100000000007

Number of H-Donors: 4

Number of H-Acceptors: 12

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi