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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-(3,4,5-trimethoxyphenyl)propanoyl}-L-isoleucinamide

Catalog ID
STL561536
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)c1cc(OC)c(c(c1)OC)OC)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 C34H41ClN2O11 MW 689.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H41ClN2O11/c1-9-15(2)28(33(36)42)37-24(39)13-18(17-11-22(45-6)29(47-8)23(12-17)46-7)25-19(38)10-16(3)34(31(25)40)32(41)26-20(43-4)14-21(44-5)27(35)30(26)48-34/h11-12,14-16,18,28,40H,9-10,13H2,1-8H3,(H2,36,42)(H,37,39)/t15-,16+,18?,28-,34-/m0/s
InChIKey
QVZMJDZEFVSOPY-PGYKVWFZSA-N
Synonyms

(2S3S)2((3((2S4R)7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(345trimethoxyphenyl)propanoyl)amino)3methylpentanamide
(2S3S)2(3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(345trimethoxyphenyl)propanamido)3methylpentanamide
145704893
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)c1cc(OC)c(c(c1)OC)OC)C
InChI=1SC34H41ClN2O11c1915(2)28(33(36)42)3724(39)1318(171122(456)29(478)23(1217)467)2519(38)1016(3)34(31(25)40)32(41)2620(434)1421(445)27(35)30(26)4834h11121416182840H91013H218H3(H23642)(H3739)t1516+18?2834m0s1
MFCD32650602
N~2~(3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(345trimethoxyphenyl)propanoyl)Lisoleucinamide
N2(3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)3(345TRIMETHOXYPHENYL)PROPANOYL)LISOLEUCINAMIDE
ZINC001848442983
ZINC001848442984

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Available files

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