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N-[(1R)-2-amino-1-(4-hydroxyphenyl)-2-oxoethyl]-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]propanamide

Catalog ID
STL552491
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](c1ccc(cc1)O)C(=O)N

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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 C34H33ClN2O9S MW 681.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H33ClN2O9S/c1-16-13-22(39)26(31(41)34(16)32(42)27-23(44-2)15-24(45-3)28(35)30(27)46-34)21(17-7-11-20(47-4)12-8-17)14-25(40)37-29(33(36)43)18-5-9-19(38)10-6-18/h5-12,15-16,21,29,38,41H,13-14H2,1-4H3,(H2,36,43)(H,37,40)/t16-,21?,29-,34+/m1/s1
InChIKey
APMYYGUJHKDDHN-RTDIPFAGSA-N
Synonyms

~(N)((1~(R))2amino1(4hydroxyphenyl)2oxoethyl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4methylsulfanylphenyl)propanamide
135640717
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)(c1ccc(cc1)O)C(=O)N
InChI=1SC34H33ClN2O9Sc1161322(39)26(31(41)34(16)32(42)2723(442)1524(453)28(35)30(27)4634)21(1771120(474)12817)1425(40)3729(33(36)43)185919(38)10618h512151621293841H1314H214H3(H23643)(H3740)t1621?2934+m1s1
N((1R)2AMINO1(4HYDROXYPHENYL)2OXOETHYL)3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)3(4(METHYLSULFANYL)PHENYL)PROPANAM
N((1R)2amino1(4hydroxyphenyl)2oxoethyl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4(methylsulfanyl)phenyl)propanamide
N((R)2amino1(4hydroxyphenyl)2oxoethyl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4(methylthio)phenyl)propanamide
ZINC001547138434
ZINC001547138437

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Available files

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