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3-{4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl}-3-(3-hydroxy-4-oxo-6-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-4H-pyran-2-yl)propanamide

Catalog ID
STL550907
SMILES NC(=O)CC(c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccc(cc1)OCCc1ccc2c(c1)CCO2

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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 C36H37N3O7 MW 623.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H37N3O7/c37-33(41)17-29(24-5-7-27(8-6-24)44-12-10-22-4-9-32-25(14-22)11-13-45-32)36-35(43)31(40)16-28(46-36)21-38-18-23-15-26(20-38)30-2-1-3-34(42)39(30)19-23/h1-9,14,16,23,26,29,43H,10-13,15,17-21H2,(H2,37,41)/t23-,26+,29?/m1/s1
InChIKey
LEHPSKWYZSBRNB-HINCYUDBSA-N
Synonyms

129895365
3(4(2(23dihydro1benzofuran5yl)ethoxy)phenyl)3(3hydroxy4oxo6(((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)methyl)pyran2yl)propanamide
3(4(2(23dihydro1benzofuran5yl)ethoxy)phenyl)3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)propanamide
3(4(2(23dihydrobenzofuran5yl)ethoxy)phenyl)3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)propanamide
InChI=1SC36H37N3O7c3733(41)1729(245727(8624)44121022493225(1422)11134532)3635(43)31(40)1628(4636)213818231526(2038)3021334(42)39(30)1923h19141623262943H1013151721H2(H23741)t2326+29?m1s1
NC(=O)CC(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccc(cc1)OCCc1ccc2c(c1)CCO2
ZINC000524730502
ZINC000524730503

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Available files

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