Products 796073-70-6

CAS 796073-70-6 appears in our catalog under these names: DM3–SMe, DM3-SMe. Offered by: GLPBio, Biosynth, MedChemExpress. Available pack sizes: 100mg, 25mg, 50mg, Get quote.

DM3–SMe
GLPBio
  • size: 100mg
  • Variants: 1
from 20161.53
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DM3-SMe
Biosynth, MedChemExpress
  • size: 25mg, 50mg, 100mg, Get quote
  • Variants: 4
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Structural formula: {0} (CAS {1})

[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[methyl-[4-(methyldisulfanyl)pentanoyl]amino]propanoate (CAS 796073-70-6) is a chemical compound with the molecular formula C38H54ClN3O10S2 and a molecular weight of 812.4 g/mol. IUPAC name: [(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[methyl-[4-(methyldisulfanyl)pentanoyl]amino]propanoate. InChIKey: YCOIJPSIDUQDNN-UQJMXLCASA-N.

Identity
Molecular formulaC38H54ClN3O10S2
Molecular weight812.4 g/mol
IUPAC name[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[methyl-[4-(methyldisulfanyl)pentanoyl]amino]propanoate
InChIKeyYCOIJPSIDUQDNN-UQJMXLCASA-N
SMILESC[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCC(C)SSC)C)\C)OC)(NC(=O)O2)O

Computed by PubChem (NCBI)

Synonyms: orb1709856