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CHEBI:232858 - L-744832

ChEBI IDCHEBI:232858
ChEBI NameL-744832
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC26H45N3O6S2
Net Charge0
Average Mass559.795
Monoisotopic Mass559.27498
SMILES[H][C@](N)(CS)CN[C@]([H])(CO[C@@]([H])(Cc1ccccc1)/C(O)=N/[C@@]([H])(CCS(C)(=O)=O)C(=O)OC(C)C)[C@@]([H])(C)CC
InChIInChI=1S/C26H45N3O6S2/c1-6-19(4)23(28-15-21(27)17-36)16-34-24(14-20-10-8-7-9-11-20)25(30)29-22(12-13-37(5,32)33)26(31)35-18(2)3/h7-11,18-19,21-24,28,36H,6,12-17,27H2,1-5H3,(H,29,30)/t19-,21+,22-,23+,24-/m0/s1
InChIKeyPGOKBMWPBDRDGN-IBXSQZDTSA-N
Roles Classification
Biological Role:
EC 2.5.1.21 (squalene synthase) inhibitor  An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of squalene synthase (EC 2.5.1.21).
ChEBI Ontology
Outgoing Relation(s)
L-744832 (CHEBI:232858) has role EC 2.5.1.21 (squalene synthase) inhibitor (CHEBI:75174)
L-744832 (CHEBI:232858) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
propan-2-yl (2S)-2-[[(2S)-2-[(2S,3S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-3-methylpentoxy]-3-phenylpropanoyl]amino]-4-methylsulfonylbutanoate
Citations