Products 350791-64-9

CAS 350791-64-9 is the registry number for Apratoxin A. Offered by: Biosynth. Available pack sizes: 100mg, 50mg.

Apratoxin A
Biosynth
  • size: 100mg, 50mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

Apratoxin A is an aprotoxin having the common aprotoxin cyclodepsipeptide skeleton where the isoleucyl residue carries an N-methyl substituent and the side-chain adjacent to the lactone is tert-butyl. It has a role as a metabolite and an antineoplastic agent. It is an apratoxin and a member of 1,3-thiazoles.

Source: ChEBI

Identity
Molecular formulaC45H69N5O8S
Molecular weight840.1 g/mol
IUPAC name(2S,3S,5S,7S,10S,16S,19S,22S,25E,27S)-16-[(2S)-butan-2-yl]-7-tert-butyl-3-hydroxy-22-[(4-methoxyphenyl)methyl]-2,5,17,19,20,25-hexamethyl-8-oxa-29-thia-14,17,20,23,30-pentazatricyclo[25.2.1.010,14]triaconta-1(30),25-diene-9,15,18,21,24-pentone
InChIKeyKXUJXPZXILTXDA-CKIYSKEDSA-N
SMILESCC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@@H](C[C@H](C[C@@H]([C@@H](C3=N[C@H](CS3)/C=C(/C(=O)N[C@H](C(=O)N([C@H](C(=O)N1C)C)C)CC4=CC=C(C=C4)OC)\C)C)O)C)C(C)(C)C

Computed by PubChem (NCBI)

Synonyms: Apratoxin A