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N~2~-{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}-L-isoleucinamide

Catalog ID
STL551969
SMILES CC[C@@H]([C@@H](C(=O)N)NC(=O)CC(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(c(c1)OC)O)C

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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 C32H37ClN2O10 MW 645.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37ClN2O10/c1-7-14(2)27(31(34)41)35-23(38)12-17(16-8-9-18(36)20(11-16)42-4)24-19(37)10-15(3)32(29(24)39)30(40)25-21(43-5)13-22(44-6)26(33)28(25)45-32/h8-9,11,13-15,17,27,36,39H,7,10,12H2,1-6H3,(H2,34,41)(H,35,38)/t14-,15+,17?,27-,32-/m0/s1
InChIKey
QBBSYFYIOHXAKY-BFHPGBJKSA-N
Synonyms

(2~(S)3~(S))2((3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)propanoyl)amino)3methylpentanamide
(2S3S)2(3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)propanamido)3methylpentanamide
132352316
CC(C@@H)((C@@H)(C(=O)N)NC(=O)CC(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(c(c1)OC)O)C
InChI=1SC32H37ClN2O10c1714(2)27(31(34)41)3523(38)1217(168918(36)20(1116)424)2419(37)1015(3)32(29(24)39)30(40)2521(435)1322(446)26(33)28(25)4532h8911131517273639H71012H216H3(H23441)(H3538)t1415+17?2732m0s1
N~2~(3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)propanoyl)Lisoleucinamide
N2(3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)3(4HYDROXY3METHOXYPHENYL)PROPANOYL)LISOLEUCINAMIDE
ZINC000823491167
ZINC000823491194

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Available files

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