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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)-N-{2-oxo-2-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}propanamide

Catalog ID
STL562084
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

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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 C41H47N3O9 MW 725.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H47N3O9/c1-25-8-6-11-30(45)10-5-3-4-9-28-19-34(46)39(40(50)38(28)41(51)53-25)32(27-14-16-31(52-2)17-15-27)20-35(47)42-21-37(49)43-22-26-18-29(24-43)33-12-7-13-36(48)44(33)23-26/h4,7,9,12-17,19,25-26,29,32,46,50H,3,5-6,8,10-11,18,20-24H2,1-2H3,
InChIKey
DRELRIRLYXQPQO-KROVDVOCSA-N
Synonyms

145705435
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(4methoxyphenyl)N(2oxo2((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)ethyl)propanamide
3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(4methoxyphenyl)N(2oxo2((1S9R)6oxo711diazatricyclo(731027)trideca24dien11yl)ethyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(4methoxyphenyl)N(2oxo2((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)ethyl)propanamide
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCC(=O)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC41H47N3O9c125861130(45)105349281934(46)39(40(50)38(28)41(51)5325)32(27141631(522)171527)2035(47)422137(49)4322261829(2443)331271336(48)44(33)2326h479121719252629324650H35681011182024H212H3(H4247)b94+t2526+2932?m0s1
MFCD32651138
ZINC001848443293
ZINC001848443294

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Available files

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