Products 226559-04-2

CAS 226559-04-2 is the registry number for Cyclo[L-α-aspartyl-D-phenylalanyl-L-lysyl-N5-[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-L-ornithylglycyl] 1,1-dimethylethyl ester, 98%. Offered by: Chemat. Available pack sizes: 1g, 5g.

Cyclo[L-α-aspartyl-D-phenylalanyl-L-lysyl-N5-[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-L-ornithylglycyl] 1,1-dimethylethyl ester, 98%
Chemat
  • size: 1g, 5g
  • Variants: 2
from 4821.20
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Structural formula: {0} (CAS {1})

Tert-butyl 2-[(2S,5R,8S,11S)-8-(4-aminobutyl)-11-[3-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]propyl]-5-benzyl-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetate (CAS 226559-04-2) is a chemical compound with the molecular formula C44H65N9O10S and a molecular weight of 912.1 g/mol. IUPAC name: tert-butyl 2-[(2S,5R,8S,11S)-8-(4-aminobutyl)-11-[3-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]propyl]-5-benzyl-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetate. InChIKey: SPXAFBLEZPVDOP-SSNHPIBPSA-N.

Identity
Molecular formulaC44H65N9O10S
Molecular weight912.1 g/mol
IUPAC nametert-butyl 2-[(2S,5R,8S,11S)-8-(4-aminobutyl)-11-[3-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]propyl]-5-benzyl-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetate
InChIKeySPXAFBLEZPVDOP-SSNHPIBPSA-N
SMILESCC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCCC[C@H]3C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N3)CCCCN)CC4=CC=CC=C4)CC(=O)OC(C)(C)C)N)C

Computed by PubChem (NCBI)

Synonyms: Protected cyclic RGDfK(NH2)