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Nalpha-{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-phenylalaninamide

Catalog ID
STL551726
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)Cc1ccccc1

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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 C35H35ClN2O10 MW 679.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H35ClN2O10/c1-17-12-23(40)28(32(42)35(17)33(43)29-25(46-3)16-26(47-4)30(36)31(29)48-35)20(19-10-11-22(39)24(14-19)45-2)15-27(41)38-21(34(37)44)13-18-8-6-5-7-9-18/h5-11,14,16-17,20-21,39,42H,12-13,15H2,1-4H3,(H2,37,44)(H,38,41)/t17-,20?,21+,35+
InChIKey
ACKUTTJHGJJRRY-MFFDOVIWSA-N
Synonyms

(2~(S))2((3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)propanoyl)amino)3phenylpropanamide
132352009
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)Cc1ccccc1
InChI=1SC35H35ClN2O10c1171223(40)28(32(42)35(17)33(43)2925(463)1626(474)30(36)31(29)4835)20(19101122(39)24(1419)452)1527(41)3821(34(37)44)13188657918h51114161720213942H121315H214H3(H23744)(H3841)t1720?21+35+m1s1
N((S)1amino1oxo3phenylpropan2yl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)propanamide
Nalpha(3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)propanoyl)Lphenylalaninamide
ZINC000824595801
ZINC000824595802

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Available files

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