Products 1239011-83-6

CAS 1239011-83-6 appears in our catalog under these names: Mibenratide, Mibenratide, 99.77%. Offered by: GLPBio, MedChemExpress. Available pack sizes: 1mg, 1 mg, 10 mg, 5 mg.

Mibenratide
GLPBio
  • size: 1mg
  • Variants: 1
from 2520.73
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Mibenratide, 99.77%
MedChemExpress
  • size: 1 mg, 10 mg, 5 mg
  • Variants: 3
from 649.42
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Structural formula: {0} (CAS {1})

3-[(1R,4S,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R,40S,43S,49S,52S,55S)-40-(4-aminobutyl)-52-(2-amino-2-oxoethyl)-22-(3-amino-3-oxopropyl)-28-benzyl-4,7-bis(3-carbamimidamidopropyl)-16,31,49-tris(carboxymethyl)-34-(hydroxymethyl)-55-[(4-hydroxyphenyl)methyl]-10,19-dimethyl-3,6,9,12,15,18,21,24,27,30,33,36,39,42,48,51,54,57-octadecaoxo-25-propan-2-yl-59,60-dithia-2,5,8,11,14,17,20,23,26,29,32,35,38,41,47,50,53,56-octadecazatricyclo[35.20.4.043,47]henhexacontan-13-yl]propanoic acid (CAS 1239011-83-6) is a chemical compound with the molecular formula C87H129N27O30S2 and a molecular weight of 2097.3 g/mol. IUPAC name: 3-[(1R,4S,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R,40S,43S,49S,52S,55S)-40-(4-aminobutyl)-52-(2-amino-2-oxoethyl)-22-(3-amino-3-oxopropyl)-28-benzyl-4,7-bis(3-carbamimidamidopropyl)-16,31,49-tris(carboxymethyl)-34-(hydroxymethyl)-55-[(4-hydroxyphenyl)methyl]-10,19-dimethyl-3,6,9,12,15,18,21,24,27,30,33,36,39,42,48,51,54,57-octadecaoxo-25-propan-2-yl-59,60-dithia-2,5,8,11,14,17,20,23,26,29,32,35,38,41,47,50,53,56-octadecazatricyclo[35.20.4.043,47]henhexacontan-13-yl]propanoic acid. InChIKey: CQXYENUJCPYPTI-LZUXSVOASA-N.

Identity
Molecular formulaC87H129N27O30S2
Molecular weight2097.3 g/mol
IUPAC name3-[(1R,4S,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R,40S,43S,49S,52S,55S)-40-(4-aminobutyl)-52-(2-amino-2-oxoethyl)-22-(3-amino-3-oxopropyl)-28-benzyl-4,7-bis(3-carbamimidamidopropyl)-16,31,49-tris(carboxymethyl)-34-(hydroxymethyl)-55-[(4-hydroxyphenyl)methyl]-10,19-dimethyl-3,6,9,12,15,18,21,24,27,30,33,36,39,42,48,51,54,57-octadecaoxo-25-propan-2-yl-59,60-dithia-2,5,8,11,14,17,20,23,26,29,32,35,38,41,47,50,53,56-octadecazatricyclo[35.20.4.043,47]henhexacontan-13-yl]propanoic acid
InChIKeyCQXYENUJCPYPTI-LZUXSVOASA-N
SMILESC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCC(=O)O)CC(=O)O)C)CCC(=O)N)C(C)C)CC3=CC=CC=C3)CC(=O)O)CO)NC(=O)[C@@H](NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CC5=CC=C(C=C5)O)CC(=O)N)CC(=O)O)CCCCN)CCCNC(=N)N)CCCNC(=N)N

Computed by PubChem (NCBI)

Synonyms: Mibenratide, mibenratida, mibenratidum, Mibenratide [INN], MIBENRATIDE [WHO-DD], orb1981146