Products 1343477-01-9

CAS 1343477-01-9 appears in our catalog under these names: Mertansine Impurity 3, N2'-Deacetyl-N2'-(3-((1-ethyl-2,5-dioxo-3-pyrrolidinyl)thio)-1-oxopropyl)-maytansine, >95% (HPLC). Offered by: Hubei YoungXin, TRC. Available pack sizes: 10mg, 25mg, 50mg, 100mg, 200mg, 2,5mg.

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

[(1S,2R,3R,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-[3-(1-ethyl-2,5-dioxopyrrolidin-3-yl)sulfanylpropanoyl-methylamino]propanoate (CAS 1343477-01-9) is a chemical compound with the molecular formula C41H55ClN4O12S and a molecular weight of 863.4 g/mol. IUPAC name: [(1S,2R,3R,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-[3-(1-ethyl-2,5-dioxopyrrolidin-3-yl)sulfanylpropanoyl-methylamino]propanoate. InChIKey: YTBXYRVRAOJNNM-VSVBELSFSA-N.

Identity
Molecular formulaC41H55ClN4O12S
Molecular weight863.4 g/mol
IUPAC name[(1S,2R,3R,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-[3-(1-ethyl-2,5-dioxopyrrolidin-3-yl)sulfanylpropanoyl-methylamino]propanoate
InChIKeyYTBXYRVRAOJNNM-VSVBELSFSA-N
SMILESCCN1C(=O)CC(C1=O)SCCC(=O)N(C)[C@@H](C)C(=O)O[C@H]2CC(=O)N(C3=C(C(=CC(=C3)C/C(=C\C=C/[C@H]([C@]4(C[C@@H]([C@H]([C@@H]5[C@]2(O5)C)C)OC(=O)N4)O)OC)/C)OC)Cl)C

Computed by PubChem (NCBI)