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ethyl N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)valyltyrosinate

Catalog ID
STL528460
SMILES CCOC(=O)C(Cc1ccc(cc1)O)NC(=O)C(C(C)C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C41H56N2O11 MW 752.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H56N2O11/c1-6-53-38(51)30(19-24-7-10-26(44)11-8-24)42-37(50)36(23(2)3)43-33(48)13-14-34(49)54-22-32(47)41(52)18-16-29-28-12-9-25-20-27(45)15-17-39(25,4)35(28)31(46)21-40(29,41)5/h7-8,10-11,20,23,28-31,35-36,44,46,52H,6,9,12-19,21-22H2,1-5H3,(H
InChIKey
BXYCHALWKHBQHG-VQLDSNRXSA-N
Synonyms

(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4((1((1ethoxy3(4hydroxyphenyl)1oxopropan2yl)amino)3methyl1oxobutan2yl)amino)4oxobutanoate
44660677
CCOC(=O)C(Cc1ccc(cc1)O)NC(=O)C(C(C)C)NC(=O)CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=O)CC(C@)12C
ethylN(4(((8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)valyltyrosinate
InChI=1SC41H56N2O11c165338(51)30(192471026(44)11824)4237(50)36(23(2)3)4333(48)131434(49)542232(47)41(52)18162928129252027(45)151739(254)35(28)31(46)2140(2941)5h781011202328313536444652H6912192122H215H3(H4250)(H4348)t28?29?30?31?35?36?394041m0s1
MFCD04078582
ZINC000253503851
ZINC000253503864

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Available files

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