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(1R,9R,16S,16aR)-4-(acetylamino)-12-oxo-N-(2-{5-[(2-oxopyridin-1(2H)-yl)methyl]-1,2,4-oxadiazol-3-yl}ethyl)-1,9,10,12,16,16a-hexahydro-2H,8H-9,16-methanopyrido[2',1':4,5][1,5]diazocino[1,2-a]quinoline-1-carboxamide

Catalog ID
STL562114
SMILES CC(=O)Nc1ccc2c(c1)C[C@H]([C@@H]1N2C[C@H]2C[C@@H]1c1n(C2)c(=O)ccc1)C(=O)NCCc1noc(n1)Cn1ccccc1=O

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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 C32H33N7O5 MW 595.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33N7O5/c1-19(40)34-22-8-9-25-21(14-22)15-24(31-23-13-20(17-39(25)31)16-38-26(23)5-4-7-30(38)42)32(43)33-11-10-27-35-28(44-36-27)18-37-12-3-2-6-29(37)41/h2-9,12,14,20,23-24,31H,10-11,13,15-18H2,1H3,(H,33,43)(H,34,40)/t20-,23+,24+,31+/m0/s1
InChIKey
GGIKLGNFCGMHND-DKMXYKQUSA-N
Synonyms

(1R9R16S16aR)4(acetylamino)12oxoN(2(5((2oxopyridin1(2H)yl)methyl)124oxadiazol3yl)ethyl)1910121616ahexahydro2H8H916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1R9R16S16aR)4acetamido12oxoN(2(5((2oxopyridin1(2H)yl)methyl)124oxadiazol3yl)ethyl)128910121616aoctahydro916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1S2R3R13R)7acetamido16oxoN(2(5((2oxopyridin1yl)methyl)124oxadiazol3yl)ethyl)1115diazapentacyclo(11710211051001520)henicosa5(10)681719pentaene3carboxamide
145705465
CC(=O)Nc1ccc2c(c1)C(C@H)((C@@H)1N2C(C@H)2C(C@@H)1c1n(C2)c(=O)ccc1)C(=O)NCCc1noc(n1)Cn1ccccc1=O
InChI=1SC32H33N7O5c119(40)3422892521(1422)1524(31231320(1739(25)31)163826(23)54730(38)42)32(43)331110273528(443627)18371232629(37)41h29121420232431H1011131518H21H3(H3343)(H3440)t2023+24+31+m0s1
MFCD32651168
ZINC001848443312

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Available files

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