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methyl 4-[(N-{3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]-3-(4-hydroxy-3-methoxyphenyl)propanoyl}-beta-alanyl)amino]benzoate

Catalog ID
STL552142
SMILES COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCC(=O)Nc1ccc(cc1)C(=O)OC

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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 C37H37ClN2O12 MW 737.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H37ClN2O12/c1-18-14-24(42)30(34(45)37(18)35(46)31-26(49-3)17-27(50-4)32(38)33(31)52-37)22(20-8-11-23(41)25(15-20)48-2)16-29(44)39-13-12-28(43)40-21-9-6-19(7-10-21)36(47)51-5/h6-11,15,17-18,22,41,45H,12-14,16H2,1-5H3,(H,39,44)(H,40,43)/t18-,22?
InChIKey
HAJULFZAFMUUHY-AMFZUPAESA-N
Synonyms

132352408
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCC(=O)Nc1ccc(cc1)C(=O)OC
InChI=1SC37H37ClN2O12c1181424(42)30(34(45)37(18)35(46)3126(493)1727(504)32(38)33(31)5237)22(2081123(41)25(1520)482)1629(44)39131228(43)40219619(71021)36(47)515h611151718224145H121416H215H3(H3944)(H4043)t1822?37+m1s1
methyl4((N(3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)propanoyl)betaalanyl)amino)benzoate
methyl4(3((3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)propanoyl)amino)propanoylamino)benzoate
methyl4(3(3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)propanamido)propanamido)benzoate
ZINC000824595857
ZINC000824595858

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Available files

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