Products 799840-96-3

CAS 799840-96-3 appears in our catalog under these names: maytansine Impurity 1, Maytansinoid DM4. Offered by: Hubei YoungXin, Biosynth, MedChemExpress. Available pack sizes: 10mg, 25mg, 50mg, 100mg, 200mg, 5mg, Get quote.

maytansine Impurity 1
Hubei YoungXin
  • size: 10mg, 25mg, 50mg, 100mg
  • Variants: 5
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Maytansinoid DM4
Biosynth, MedChemExpress
  • size: 5mg, 10mg, 25mg, 50mg
  • Variants: 5
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Structural formula: {0} (CAS {1})

[(1S,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,2,5,9,16-pentamethyl-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-sulfanylpentanoyl)amino]propanoate (CAS 799840-96-3) is a chemical compound with the molecular formula C39H56ClN3O10S and a molecular weight of 794.4 g/mol. IUPAC name: [(1S,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,2,5,9,16-pentamethyl-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-sulfanylpentanoyl)amino]propanoate. InChIKey: SVVGCFZPFZGWRG-CFYIETIYSA-N.

Identity
Molecular formulaC39H56ClN3O10S
Molecular weight794.4 g/mol
IUPAC name[(1S,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,2,5,9,16-pentamethyl-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-sulfanylpentanoyl)amino]propanoate
InChIKeySVVGCFZPFZGWRG-CFYIETIYSA-N
SMILESC/C/1=C/C=C\[C@H]([C@]2(C[C@@H](C([C@H]3[C@@](O3)([C@H](CC(=O)N(C4=C(C(=CC(=C4)C1)OC)Cl)C)OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)S)C)(C)C)OC(=O)N2)O)OC

Computed by PubChem (NCBI)

Synonyms: Maytansinoid DM4
Isomers (same molecular formula)
[(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-methylsulfanylpentanoyl)amino]propanoate C39H56ClN3O10S