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3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-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
STL550532
SMILES NC(=O)CC(c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccc2c(c1)n(C)c(=O)n2C

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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 C29H31N5O6 MW 545.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O6/c1-31-22-7-6-17(9-23(22)32(2)29(31)39)20(11-25(30)36)28-27(38)24(35)10-19(40-28)15-33-12-16-8-18(14-33)21-4-3-5-26(37)34(21)13-16/h3-7,9-10,16,18,20,38H,8,11-15H2,1-2H3,(H2,30,36)/t16-,18+,20?/m1/s1
InChIKey
PPOPQTRPHDJUNX-MARPTJLWSA-N
Synonyms

129894977
3(13dimethyl2oxo23dihydro1Hbenzimidazol5yl)3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)propanamide
3(13dimethyl2oxo23dihydro1Hbenzo(d)imidazol5yl)3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)propanamide
3(13dimethyl2oxobenzimidazol5yl)3(3hydroxy4oxo6(((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)methyl)pyran2yl)propanamide
InChI=1SC29H31N5O6c131227617(923(22)32(2)29(31)39)20(1125(30)36)2827(38)24(35)1019(4028)15331216818(1433)2143526(37)34(21)1316h3791016182038H81115H212H3(H23036)t1618+20?m1s1
NC(=O)CC(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccc2c(c1)n(C)c(=O)n2C
ZINC000524729969
ZINC000524729970

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Available files

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