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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}-N-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-D-alaninamide

Catalog ID
STL552329
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)NCc1cc(=O)n(c(=O)n1C)C)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 C36H39ClN4O12 MW 755.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H39ClN4O12/c1-16-10-22(43)28(32(46)36(16)33(47)29-24(51-6)14-25(52-7)30(37)31(29)53-36)20(18-8-9-21(42)23(11-18)50-5)13-26(44)39-17(2)34(48)38-15-19-12-27(45)41(4)35(49)40(19)3/h8-9,11-12,14,16-17,20,42,46H,10,13,15H2,1-7H3,(H,38,48)(H,39,44)/
InChIKey
LYKKIJWRDMPHHD-OZBUCDOUSA-N
Synonyms

132352449
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)((2~(R))1((13dimethyl26dioxopyrimidin4yl)methylamino)1oxopropan2yl)3(4hydroxy3methoxyphenyl)propanamide
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)NCc1cc(=O)n(c(=O)n1C)C)C
InChI=1SC36H39ClN4O12c1161022(43)28(32(46)36(16)33(47)2924(516)1425(527)30(37)31(29)5336)20(188921(42)23(1118)505)1326(44)3917(2)34(48)3815191227(45)41(4)35(49)40(19)3h891112141617204246H101315H217H3(H3848)(H3944)t161720?36+m1s1
N~2~(3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)propanoyl)N((13dimethyl26dioxo1236tetrahydropyrimidin4yl)methyl)Dalaninamide
RAHYDROPYRIMIDIN4YL)METHYL)DALANINAMIDE
ZINC000824595938
ZINC000824595947

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Available files

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