(Q105216926)

English

Maytansine, N2'-deacetyl-22-demethyl-15-methoxy-N2'-(2-methyl-1-oxopropyl)-

group of stereoisomers with the chemical formula C₃₆H₅₀ClN₃O₁₁

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

735.3133871 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₀ClN₃O₁₁

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canonical SMILES

COc1cc2cc(c1Cl)NC(=O)CC(OC(=O)C(C)N(C)C(=O)C(C)C)C1(C)OC1C(C)C1CC(O)(NC(=O)O1)C(OC)C=CC=C(C)C2OC

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isomeric SMILES

COc1cc2cc(c1Cl)NC(=O)CC(OC(=O)C(C)N(C)C(=O)C(C)C)C1(C)OC1C(C)C1CC(O)(NC(=O)O1)C(OC)/C=C/C=C(C)C2OC

1 reference

2 references

Tandem Mass Spectrometry of Maytansinoids

stated in

Additional New Maytansinoids from Trewia nudiflora: 10-Epitrewiasine and Nortrewiasine

Identifiers

InChI

InChI=1S/C36H50ClN3O11/c1-18(2)32(42)40(7)21(5)33(43)50-27-16-28(41)38-23-14-22(15-24(46-8)29(23)37)30(48-10)19(3)12-11-13-26(47-9)36(45)17-25(49-34(44)39-36)20(4)31-35(27,6)51-31/h11-15,18,20-21,25-27,30-31,45H,16-17H2,1-10H3,(H,38,41)(H,39,44)/b13-11+,19-12?

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InChIKey

PZDXJLHGUHZVRF-AOWAQQDZSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

PZDXJLHGUHZVRF-AOWAQQDZSA-N

1 reference

(Q105216926)

Maytansine, N2'-deacetyl-22-demethyl-15-methoxy-N2'-(2-methyl-1-oxopropyl)-

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