Products 138148-68-2

CAS 138148-68-2 appears in our catalog under these names: Maytansinoid DM4 Impurity 6, DM1-SMe, DM1–SMe, DM1-SMe 98%, (14S,16S,32S,33S,2R,4S,10E,12E,14R)-86-Chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-methyl-N-(3-(methyldisulfaneyl)propanoyl)-L-alaninate, 98%, 98%. Offered by: Chemat Brand, TargetMol, GLPBio, Ambeed, Chemat. Available pack sizes: on request, 1mg, 5mg, 10mg, 25mg, 50mg, 100mg, 10 mg.

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

[(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-[3-(methyldisulfanyl)propanoyl]amino]propanoate (CAS 138148-68-2) is a chemical compound with the molecular formula C36H50ClN3O10S2 and a molecular weight of 784.4 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-[3-(methyldisulfanyl)propanoyl]amino]propanoate. InChIKey: ZLUUPZXOPGORNG-UDXCHANISA-N.

Identity
Molecular formulaC36H50ClN3O10S2
Molecular weight784.4 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-[3-(methyldisulfanyl)propanoyl]amino]propanoate
InChIKeyZLUUPZXOPGORNG-UDXCHANISA-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)CCSSC)C)\C)OC)(NC(=O)O2)O

Computed by PubChem (NCBI)