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N-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]-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)propanamide

Catalog ID
STL551975
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCc1n[nH]c(n1)N

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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 C33H41N5O9 MW 651.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H41N5O9/c1-18-9-8-12-21(39)11-7-5-6-10-19-13-23(40)29(30(42)28(19)32(43)47-18)22(16-27(41)35-17-26-36-33(34)38-37-26)20-14-24(44-2)31(46-4)25(15-20)45-3/h6,10,13-15,18,22,40,42H,5,7-9,11-12,16-17H2,1-4H3,(H,35,41)(H3,34,36,37,38)/b10-6+/t18-,2
InChIKey
FJCAOUSOAWTLQP-MNSKWPPGSA-N
Synonyms

~(N)((3amino1~(H)124triazol5yl)methyl)3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(345trimethoxyphenyl)propanamide
135640291
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCc1(nH)nc(n1)N
InChI=1SC33H41N5O9c118981221(39)1175610191323(40)29(30(42)28(19)32(43)4718)22(1627(41)3517263633(34)383726)201424(442)31(464)25(1520)453h610131518224042H57911121617H214H3(H3541)(H334363738)b106+t1822?m0s1
N((3amino1H124triazol5yl)methyl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamide
N((5amino1H124triazol3yl)methyl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamide
ZINC001547138690
ZINC001547138692

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Available files

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