Products 2409178-86-3

CAS 2409178-86-3 is the registry number for SARS 3CLpro-IN-1. Offered by: TargetMol, MedChemExpress. Available pack sizes: 25mg, 50mg, 100mg, Get quote.

SARS 3CLpro-IN-1
TargetMol, MedChemExpress
  • size: 25mg, 50mg, 100mg, Get quote
  • Variants: 4
from 9789.65
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Structural formula: {0} (CAS {1})

(2S)-2-[[(1S,3S,4aR,8aS)-1-[[butyl(methyl)amino]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromen-3-yl]methylamino]-3-(1H-imidazol-5-yl)propanal (CAS 2409178-86-3) is a chemical compound with the molecular formula C22H38N4O2 and a molecular weight of 390.6 g/mol. IUPAC name: (2S)-2-[[(1S,3S,4aR,8aS)-1-[[butyl(methyl)amino]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromen-3-yl]methylamino]-3-(1H-imidazol-5-yl)propanal. InChIKey: XTDYRRXAUUTJAL-ZQOQTTQJSA-N.

Identity
Molecular formulaC22H38N4O2
Molecular weight390.6 g/mol
IUPAC name(2S)-2-[[(1S,3S,4aR,8aS)-1-[[butyl(methyl)amino]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromen-3-yl]methylamino]-3-(1H-imidazol-5-yl)propanal
InChIKeyXTDYRRXAUUTJAL-ZQOQTTQJSA-N
SMILESCCCCN(C)C[C@@H]1[C@H]2CCCC[C@@H]2C[C@H](O1)CN[C@@H](CC3=CN=CN3)C=O

Computed by PubChem (NCBI)

Synonyms: med.21724, Compound 54, orb1688264
Isomers (same molecular formula)
benzyl (2S)-2-[(2S,5S,8S,11S)-2,5,8,11-tetramethyl-1,4,7,10-tetrazacyclododec-1-yl]propanoate C22H38N4O2