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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-alaninamide

Catalog ID
STL552243
SMILES COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N[C@H](C(=O)N)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 C29H31ClN2O10 MW 603.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31ClN2O10/c1-12-8-17(34)22(15(10-21(35)32-13(2)28(31)38)14-6-7-16(33)18(9-14)39-3)26(36)29(12)27(37)23-19(40-4)11-20(41-5)24(30)25(23)42-29/h6-7,9,11-13,15,33,36H,8,10H2,1-5H3,(H2,31,38)(H,32,35)/t12-,13+,15?,29+/m1/s1
InChIKey
YCXVWUDAOBHSPM-BDJNOFIDSA-N
Synonyms

~(N)((2~(S))1amino1oxopropan2yl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)propanamide
132352030
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N(C@H)(C(=O)N)C
InChI=1SC29H31ClN2O10c112817(34)22(15(1021(35)3213(2)28(31)38)146716(33)18(914)393)26(36)29(12)27(37)2319(404)1120(415)24(30)25(23)4229h6791113153336H810H215H3(H23138)(H3235)t1213+15?29+m1s1
N((S)1amino1oxopropan2yl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)propanamide
N~2~(3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)propanoyl)Lalaninamide
N2(3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)3(4HYDROXY3METHOXYPHENYL)PROPANOYL)LALANINAMIDE
ZINC000824596491
ZINC000824596492

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Available files

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