Products 2883125-82-2

CAS 2883125-82-2 appears in our catalog under these names: Mb660R-DBCO, 98%, MB 660R DBCO. Offered by: Chemat Brand, MedChemExpress. Available pack sizes: on request, Get quote.

Mb660R-DBCO, 98%
Chemat Brand
  • size: on request
  • Variants: 1
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MB 660R DBCO
MedChemExpress
  • size: Get quote
  • Variants: 1
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Structural formula: {0} (CAS {1})

3-[20-[4-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-4-oxobutyl]-7,7,19,19-tetramethyl-9,17-bis(sulfomethyl)-2-oxa-6,13-diaza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,10,13,15,20-heptaen-6-yl]propane-1-sulfonic acid (CAS 2883125-82-2) is a chemical compound with the molecular formula C49H56N5O12S3+ and a molecular weight of 1003.2 g/mol. IUPAC name: 3-[20-[4-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-4-oxobutyl]-7,7,19,19-tetramethyl-9,17-bis(sulfomethyl)-2-oxa-6,13-diaza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,10,13,15,20-heptaen-6-yl]propane-1-sulfonic acid. InChIKey: APTGRKWQWFTUQY-UHFFFAOYSA-O.

Identity
Molecular formulaC49H56N5O12S3+
Molecular weight1003.2 g/mol
IUPAC name3-[20-[4-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-4-oxobutyl]-7,7,19,19-tetramethyl-9,17-bis(sulfomethyl)-2-oxa-6,13-diaza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,10,13,15,20-heptaen-6-yl]propane-1-sulfonic acid
InChIKeyAPTGRKWQWFTUQY-UHFFFAOYSA-O
SMILESCC1(CC(C2=CC3=C(C=C2N1CCCS(=O)(=O)O)OC4=CC5=[N+](C(CC(C5=CC4=N3)CS(=O)(=O)O)(C)C)CCCC(=O)NCCC(=O)N6CC7=CC=CC=C7C#CC8=CC=CC=C86)CS(=O)(=O)O)C

Computed by PubChem (NCBI)

Synonyms: Mb660R-DBCO, orb3028971