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5-{4-[(1,3-dimethyl-2,4,6-trioxo-5-{[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}hexahydropyrimidin-5-yl)methyl]benzyl}-1,3-dimethyl-5-{[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazoci

Catalog ID
STL529699
SMILES O=C1N(C)C(=O)C(C(=O)N1C)(CN1C[C@@H]2C[C@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc(cc1)CC1(CN2C[C@@H]3C[C@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)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 C44H50N8O8 MW 818.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C44H50N8O8/c1-45-37(55)43(38(56)46(2)41(45)59,25-49-19-29-15-31(23-49)33-7-5-9-35(53)51(33)21-29)17-27-11-13-28(14-12-27)18-44(39(57)47(3)42(60)48(4)40(44)58)26-50-20-30-16-32(24-50)34-8-6-10-36(54)52(34)22-30/h5-14,29-32H,15-26H2,1-4H3/t29-,30-,
InChIKey
QKUFYFUSJMGILO-ZRTHHSRSSA-N
Synonyms

(RS)55(14phenylenebis(methylene))bis(13dimethyl5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)pyrimidine246(1H3H5H)trione)
5(4((13dimethyl246trioxo5(((1R5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)hexahydropyrimidin5yl)methyl)benzyl)13dimethyl5(((1R5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazoci
InChI=1SC44H50N8O8c14537(55)43(38(56)46(2)41(45)59254919291531(2349)3375935(53)51(33)2129)1727111328(141227)1844(39(57)47(3)42(60)48(4)40(44)58)265020301632(2450)34861036(54)52(34)2230h5142932H1526H214H3t293031+32+m1s1
MFCD06769682
O=C1N(C)C(=O)C(C(=O)N1C)(CN1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cc1ccc(cc1)CC1(CN2C(C@@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C
ZINC000150360544

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Available files

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