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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}glycyl)amino]benzamide

Catalog ID
STL552536
SMILES COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCC(=O)Nc1ccc(cc1)C(=O)N

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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 C35H34ClN3O11 MW 708.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H34ClN3O11/c1-16-11-22(41)28(32(44)35(16)33(45)29-24(48-3)14-25(49-4)30(36)31(29)50-35)20(18-7-10-21(40)23(12-18)47-2)13-26(42)38-15-27(43)39-19-8-5-17(6-9-19)34(37)46/h5-10,12,14,16,20,40,44H,11,13,15H2,1-4H3,(H2,37,46)(H,38,42)(H,39,43)/t16-
InChIKey
BQJHBNVWIOTALY-XFKGVOTOSA-N
Synonyms

132351875
4((2((3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)propanoyl)amino)acetyl)amino)benzamide
4((N(3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)propanoyl)glycyl)amino)benzamide
4(2(3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)propanamido)acetamido)benzamide
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCC(=O)Nc1ccc(cc1)C(=O)N
InChI=1SC35H34ClN3O11c1161122(41)28(32(44)35(16)33(45)2924(483)1425(494)30(36)31(29)5035)20(1871021(40)23(1218)472)1326(42)381527(43)39198517(6919)34(37)46h510121416204044H111315H214H3(H23746)(H3842)(H3943)t1620?35+m1s1
ZINC000824595810
ZINC000824595811

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Available files

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