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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]-3-(4-methoxyphenyl)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide

Catalog ID
STL552358
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCNc1ncccn1

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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 C34H40N4O7 MW 616.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H40N4O7/c1-22-8-6-11-25(39)10-5-3-4-9-24-20-28(40)31(32(42)30(24)33(43)45-22)27(23-12-14-26(44-2)15-13-23)21-29(41)35-18-19-38-34-36-16-7-17-37-34/h4,7,9,12-17,20,22,27,40,42H,3,5-6,8,10-11,18-19,21H2,1-2H3,(H,35,41)(H,36,37,38)/b9-4+/t22-,27?
InChIKey
CDTSHKPVHNJQPS-SGUFPHAMSA-N
Synonyms

135640606
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(4methoxyphenyl)N(2(pyrimidin2ylamino)ethyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(4methoxyphenyl)~(N)(2(pyrimidin2ylamino)ethyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(4methoxyphenyl)N(2(pyrimidin2ylamino)ethyl)propanamide
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCNc1ncccn1
InChI=1SC34H40N4O7c122861125(39)105349242028(40)31(32(42)30(24)33(43)4522)27(23121426(442)151323)2129(41)351819383436167173734h47912172022274042H35681011181921H212H3(H3541)(H363738)b94+t2227?m0s1
ZINC001772492941
ZINC001772492943

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Available files

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