Products 796073-68-2
CAS 796073-68-2 appears in our catalog under these names: Maytansinoid DM4 Impurity 1, DM4–SMe, DM4-SMe, DM4-SMe 99%, Maytansine, N2'-deacetyl-N2'-[4-methyl-4-(methyldithio)-1-oxopentyl]-, 99%, 99%. Offered by: Chemat Brand, GLPBio, Biosynth, Ambeed, Chemat. Available pack sizes: on request, 1mg, 10mg, 25mg, 50mg, 5mg, 5 mg, 1 mg.
[(1S,2R,3S,5S,6S,16Z,18Z,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-methyl-4-(methyldisulfanyl)pentanoyl]amino]propanoate (CAS 796073-68-2) is a chemical compound with the molecular formula C39H56ClN3O10S2 and a molecular weight of 826.5 g/mol. IUPAC name: [(1S,2R,3S,5S,6S,16Z,18Z,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-methyl-4-(methyldisulfanyl)pentanoyl]amino]propanoate. InChIKey: LTLNAIFGVAUBEJ-CJUSJEAQSA-N.
| Molecular formula | C39H56ClN3O10S2 |
|---|---|
| Molecular weight | 826.5 g/mol |
| IUPAC name | [(1S,2R,3S,5S,6S,16Z,18Z,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-methyl-4-(methyldisulfanyl)pentanoyl]amino]propanoate |
| InChIKey | LTLNAIFGVAUBEJ-CJUSJEAQSA-N |
| SMILES | C[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)(C)SSC)C)\C)OC)(NC(=O)O2)O |
Computed by PubChem (NCBI)