Products 52229-90-0

CAS 52229-90-0 appears in our catalog under these names: Iturin A, Iturin A, 98.53%, Iturin A from Bacillus subtilis >= 95 %. Offered by: GLPBio, MedChemExpress, Sigma-Aldrich. Available pack sizes: 1mg, 1 mg, 5 mg, 5MG.

Iturin A
GLPBio
  • size: 1mg
  • Variants: 1
from 2839.00
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Iturin A, 98.53%
MedChemExpress
  • size: 1 mg, 5 mg
  • Variants: 2
from 3575.14
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Iturin A from Bacillus subtilis >= 95 %
Sigma-Aldrich
  • size: 1MG, 5MG
  • Variants: 2
from 902.00
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Structural formula: {0} (CAS {1})

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 (CAS 52229-90-0) is a chemical compound with the molecular formula C48H74N12O14 and a molecular weight of 1043.2 g/mol. IUPAC name: 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. InChIKey: RDUGMXONDQDIRN-QZBZMMCASA-N.

Identity
Molecular formulaC48H74N12O14
Molecular weight1043.2 g/mol
IUPAC name3-[(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
InChIKeyRDUGMXONDQDIRN-QZBZMMCASA-N
SMILESCC(C)CCCCCCCCC1CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N[C@H](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 A, RDUGMXONDQDIRN-QZBZMMCASA-N
Isomers (same molecular formula)
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 C48H74N12O14