Products 2413293-65-7

CAS 2413293-65-7 is the registry number for Antibacterial agent 102. Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-[[2-[4-[(dimethylamino)methyl]triazol-1-yl]acetyl]amino]phenyl]sulfanylacetate (CAS 2413293-65-7) is a chemical compound with the molecular formula C35H49N5O5S and a molecular weight of 651.9 g/mol. IUPAC name: [(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-[[2-[4-[(dimethylamino)methyl]triazol-1-yl]acetyl]amino]phenyl]sulfanylacetate. InChIKey: LWGXUSGMNQTXMC-CVPIINBPSA-N.

Identity
Molecular formulaC35H49N5O5S
Molecular weight651.9 g/mol
IUPAC name[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-[[2-[4-[(dimethylamino)methyl]triazol-1-yl]acetyl]amino]phenyl]sulfanylacetate
InChIKeyLWGXUSGMNQTXMC-CVPIINBPSA-N
SMILESC[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CSC4=CC=CC=C4NC(=O)CN5C=C(N=N5)CN(C)C)C

Computed by PubChem (NCBI)