Products 83785-07-3

CAS 83785-07-3 appears in our catalog under these names: Iturin A2, Iturin A–2, Iturin A-2. Offered by: TargetMol, GLPBio, MedChemExpress. Available pack sizes: 1mg, Get quote.

Iturin A2
TargetMol
  • size: 1mg
  • Variants: 1
from 7073.46
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Iturin A–2
GLPBio
  • size: 1mg
  • Variants: 1
from 3311.73
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Iturin A-2
MedChemExpress
  • size: Get quote
  • Variants: 1
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Structural formula: {0} (CAS {1})

3-[6,12,22-tris(2-amino-2-oxoethyl)-19-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-2,5,8,11,14,18,21,24-octaoxo-16-undecyl-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide (CAS 83785-07-3) is a chemical compound with the molecular formula C48H74N12O14 and a molecular weight of 1043.2 g/mol. IUPAC name: 3-[6,12,22-tris(2-amino-2-oxoethyl)-19-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-2,5,8,11,14,18,21,24-octaoxo-16-undecyl-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide. InChIKey: HNAPWDKFUSLFFE-UHFFFAOYSA-N.

Identity
Molecular formulaC48H74N12O14
Molecular weight1043.2 g/mol
IUPAC name3-[6,12,22-tris(2-amino-2-oxoethyl)-19-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-2,5,8,11,14,18,21,24-octaoxo-16-undecyl-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide
InChIKeyHNAPWDKFUSLFFE-UHFFFAOYSA-N
SMILESCCCCCCCCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)N1)CO)CC(=O)N)CCC(=O)N)CC(=O)N)CC3=CC=C(C=C3)O)CC(=O)N

Computed by PubChem (NCBI)

Synonyms: Iturin D, Iturin-D, Iturin A 2 8, Iturin A2, MEGxm0_000309, orb1992464, ACon0_000702
Isomers (same molecular formula)
3-[(3S,6R,9R,12S,19S,22R,25S)-6,12,22-tris(2-amino-2-oxoethyl)-19-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-16-(9-methyldecyl)-2,5,8,11,14,18,21,24-octaoxo-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide C48H74N12O14