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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-(methylsulfanyl)phenyl]propanoyl}-N-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-L-alaninamide

Catalog ID
STL551683
SMILES CSc1ccc(cc1)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 C36H39ClN4O10S MW 755.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H39ClN4O10S/c1-17-12-23(42)28(32(45)36(17)33(46)29-24(49-5)15-25(50-6)30(37)31(29)51-36)22(19-8-10-21(52-7)11-9-19)14-26(43)39-18(2)34(47)38-16-20-13-27(44)41(4)35(48)40(20)3/h8-11,13,15,17-18,22,45H,12,14,16H2,1-7H3,(H,38,47)(H,39,43)/t17-,18
InChIKey
HYXXCVUGKSLVRX-ZRJWGHLGSA-N
Synonyms

135640042
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)((2~(S))1((13dimethyl26dioxopyrimidin4yl)methylamino)1oxopropan2yl)3(4methylsulfanylphenyl)propanamide
AHYDROPYRIMIDIN4YL)METHYL)LALANINAMIDE
CSc1ccc(cc1)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=1SC36H39ClN4O10Sc1171223(42)28(32(45)36(17)33(46)2924(495)1525(506)30(37)31(29)5136)22(1981021(527)11919)1426(43)3918(2)34(47)3816201327(44)41(4)35(48)40(20)3h811131517182245H121416H217H3(H3847)(H3943)t1718+22?36+m1s1
N~2~(3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4(methylsulfanyl)phenyl)propanoyl)N((13dimethyl26dioxo1236tetrahydropyrimidin4yl)methyl)Lalaninamide
ZINC001547138910
ZINC001547138912

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Available files

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