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N-[3-(1H-benzimidazol-2-yl)propyl]-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)propanamide

Catalog ID
STL552097
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCCc1nc2c([nH]1)cccc2

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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 C38H43N3O7 MW 653.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H43N3O7/c1-24-10-8-13-27(42)12-5-3-4-11-26-22-32(43)36(37(45)35(26)38(46)48-24)29(25-17-19-28(47-2)20-18-25)23-34(44)39-21-9-16-33-40-30-14-6-7-15-31(30)41-33/h4,6-7,11,14-15,17-20,22,24,29,43,45H,3,5,8-10,12-13,16,21,23H2,1-2H3,(H,39,44)(H,40
InChIKey
KZINUYJAMSVDBE-JBHQSVGXSA-N
Synonyms

~(N)(3(1~(H)benzimidazol2yl)propyl)3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(4methoxyphenyl)propanamide
135640392
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCCc1nc2c((nH)1)cccc2
InChI=1SC38H43N3O7c1241081327(42)1253411262232(43)36(37(45)35(26)38(46)4824)29(25171928(472)201825)2334(44)392191633403014671531(30)4133h46711141517202224294345H358101213162123H212H3(H3944)(H4041)b114+t2429?m0s1
N(3(1Hbenzimidazol2yl)propyl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(4methoxyphenyl)propanamide
N(3(1Hbenzo(d)imidazol2yl)propyl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(4methoxyphenyl)propanamide
ZINC001547212407
ZINC001547212408

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Available files

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