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N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(1,3-benzodioxol-5-yl)-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]propanamide

Catalog ID
STL561903
SMILES NC(=O)CN1CCC(CC1)NC(=O)CC(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)c1ccc2c(c1)OCO2

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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 C35H43N3O9 MW 649.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H43N3O9/c1-21-6-5-9-25(39)8-4-2-3-7-23-16-27(40)33(34(43)32(23)35(44)47-21)26(22-10-11-28-29(17-22)46-20-45-28)18-31(42)37-24-12-14-38(15-13-24)19-30(36)41/h3,7,10-11,16-17,21,24,26,40,43H,2,4-6,8-9,12-15,18-20H2,1H3,(H2,36,41)(H,37,42)/b7-3+/
InChIKey
UPSHSXICKNKOGS-JIKMMFEUSA-N
Synonyms

145705257
InChI=1SC35H43N3O9c12165925(39)84237231627(40)33(34(43)32(23)35(44)4721)26(2210112829(1722)46204528)1831(42)3724121438(151324)1930(36)41h37101116172124264043H2468912151820H21H3(H23641)(H3742)b73+t2126?m0s1
MFCD32650962
N(1(2amino2oxoethyl)piperidin4yl)3(13benzodioxol5yl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)propanamide
N(1(2amino2oxoethyl)piperidin4yl)3(13benzodioxol5yl)3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)propanamide
N(1(2amino2oxoethyl)piperidin4yl)3(benzo(d)(13)dioxol5yl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)propanamide
NC(=O)CN1CCC(CC1)NC(=O)CC(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)c1ccc2c(c1)OCO2
ZINC001848443464
ZINC001848443465

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Available files

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