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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]-N-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-3-(4-methoxyphenyl)propanamide

Catalog ID
STL551884
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCc1cc(=O)n(c(=O)n1C)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 C35H41N3O9 MW 647.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H41N3O9/c1-21-9-8-12-25(39)11-7-5-6-10-23-17-28(40)32(33(43)31(23)34(44)47-21)27(22-13-15-26(46-4)16-14-22)19-29(41)36-20-24-18-30(42)38(3)35(45)37(24)2/h6,10,13-18,21,27,40,43H,5,7-9,11-12,19-20H2,1-4H3,(H,36,41)/b10-6+/t21-,27?/m0/s1
InChIKey
PBNSFPCRPHYQPU-CAMWOPEZSA-N
Synonyms

135640214
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N((13dimethyl26dioxo1236tetrahydropyrimidin4yl)methyl)3(4methoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)((13dimethyl26dioxopyrimidin4yl)methyl)3(4methoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N((13dimethyl26dioxo1236tetrahydropyrimidin4yl)methyl)3(4methoxyphenyl)propanamide
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCc1cc(=O)n(c(=O)n1C)C
InChI=1SC35H41N3O9c121981225(39)1175610231728(40)32(33(43)31(23)34(44)4721)27(22131526(464)161422)1929(41)3620241830(42)38(3)35(45)37(24)2h610131821274043H57911121920H214H3(H3641)b106+t2127?m0s1
ZINC001772492892
ZINC001772492893

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Available files

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