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N-[(1R)-2-amino-1-(4-hydroxyphenyl)-2-oxoethyl]-3-[(3S,11E)-14,16-dihydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-15-yl]-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL552397
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)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 C38H44N2O11 MW 704.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H44N2O11/c1-21-9-8-12-25(41)11-7-5-6-10-23-17-28(43)33(35(45)32(23)38(47)51-21)27(24-18-29(48-2)36(50-4)30(19-24)49-3)20-31(44)40-34(37(39)46)22-13-15-26(42)16-14-22/h6,10,13-19,21,27,34,42-43,45H,5,7-9,11-12,20H2,1-4H3,(H2,39,46)(H,40,44)/b10
InChIKey
NKRSNJQKTQLRMN-GDQGPUDPSA-N
Synonyms

~(N)((1~(R))2amino1(4hydroxyphenyl)2oxoethyl)3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(345trimethoxyphenyl)propanamide
135640639
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)N(C@H)(c1ccc(cc1)O)C(=O)N
InChI=1SC38H44N2O11c121981225(41)1175610231728(43)33(35(45)32(23)38(47)5121)27(241829(482)36(504)30(1924)493)2031(44)4034(37(39)46)22131526(42)161422h6101319212734424345H579111220H214H3(H23946)(H4044)b106+t2127?34+m0s1
N((1R)2amino1(4hydroxyphenyl)2oxoethyl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamide
N((R)2amino1(4hydroxyphenyl)2oxoethyl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamide
ZINC001547138574
ZINC001547138590

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Available files

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