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N~3~-{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)propanoyl}-N-pyridin-2-yl-beta-alaninamide

Catalog ID
STL552320
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCC(=O)Nc1ccccn1

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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 C38H45N3O10 MW 703.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H45N3O10/c1-23-11-10-14-26(42)13-7-5-6-12-24-19-28(43)35(36(46)34(24)38(47)51-23)27(25-20-29(48-2)37(50-4)30(21-25)49-3)22-33(45)40-18-16-32(44)41-31-15-8-9-17-39-31/h6,8-9,12,15,17,19-21,23,27,43,46H,5,7,10-11,13-14,16,18,22H2,1-4H3,(H,40,45)
InChIKey
DAQOQAYLILHYAT-AMONCSBESA-N
Synonyms

135640577
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(3oxo3(pyridin2ylamino)propyl)3(345trimethoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(3oxo3(pyridin2ylamino)propyl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCC(=O)Nc1ccccn1
InChI=1SC38H45N3O10c12311101426(42)1375612241928(43)35(36(46)34(24)38(47)5123)27(252029(482)37(504)30(2125)493)2233(45)40181632(44)41311589173931h689121517192123274346H5710111314161822H214H3(H4045)(H394144)b126+t2327?m0s1
N~3~(3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(345trimethoxyphenyl)propanoyl)Npyridin2ylbetaalaninamide
ZINC001547138252
ZINC001547138253

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Available files

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