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N~2~-{3-(1,3-benzodioxol-5-yl)-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]propanoyl}-L-isoleucinamide

Catalog ID
STL551700
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)c1ccc2c(c1)OCO2)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 C32H35ClN2O10 MW 643.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H35ClN2O10/c1-6-14(2)27(31(34)40)35-23(37)11-17(16-7-8-19-20(10-16)44-13-43-19)24-18(36)9-15(3)32(29(24)38)30(39)25-21(41-4)12-22(42-5)26(33)28(25)45-32/h7-8,10,12,14-15,17,27,38H,6,9,11,13H2,1-5H3,(H2,34,40)(H,35,37)/t14-,15+,17?,27-,32-/m0/s
InChIKey
QVZMJNLBEKGTDB-BFHPGBJKSA-N
Synonyms

(2~(S)3~(S))2((3(13benzodioxol5yl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)propanoyl)amino)3methylpentanamide
(2S3S)2(3(benzo(d)(13)dioxol5yl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)propanamido)3methylpentanamide
135640056
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)c1ccc2c(c1)OCO2)C
InChI=1SC32H35ClN2O10c1614(2)27(31(34)40)3523(37)1117(16781920(1016)44134319)2418(36)915(3)32(29(24)38)30(39)2521(414)1222(425)26(33)28(25)4532h7810121415172738H691113H215H3(H23440)(H3537)t1415+17?2732m0s1
N~2~(3(13benzodioxol5yl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)propanoyl)Lisoleucinamide
N2(3(13BENZODIOXOL5YL)3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)PROPANOYL)LISOLEUCINAMIDE
ZINC001547212421
ZINC001547212422

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Available files

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