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N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-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
STL561677
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)N[C@H](c1nc2c([nH]1)cccc2)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 C37H41N3O7 MW 639.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H41N3O7/c1-22-10-9-13-26(41)12-6-4-5-11-25-20-31(42)34(35(44)33(25)37(45)47-22)28(24-16-18-27(46-3)19-17-24)21-32(43)38-23(2)36-39-29-14-7-8-15-30(29)40-36/h5,7-8,11,14-20,22-23,28,42,44H,4,6,9-10,12-13,21H2,1-3H3,(H,38,43)(H,39,40)/b11-5+/t22
InChIKey
XOAJINLKZPQWJG-MVTHZPTNSA-N
Synonyms

145705034
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)N(C@H)(c1nc2c((nH)1)cccc2)C
InChI=1SC37H41N3O7c1221091326(41)1264511252031(42)34(35(44)33(25)37(45)4722)28(24161827(463)191724)2132(43)3823(2)36392914781530(29)4036h5781114202223284244H46910121321H213H3(H3843)(H3940)b115+t222328?m0s1
MFCD32650742
N((1S)1(1Hbenzimidazol2yl)ethyl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(4methoxyphenyl)propanamide
N((1S)1(1Hbenzimidazol2yl)ethyl)3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(4methoxyphenyl)propanamide
N((S)1(1Hbenzo(d)imidazol2yl)ethyl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(4methoxyphenyl)propanamide
ZINC001848443153
ZINC001848443154

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Available files

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