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(1R,9R,16S,16aR)-4-(acetylamino)-N-{2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl}-12-oxo-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
STL561950
SMILES COCCc1noc(n1)CCNC(=O)[C@@H]1Cc2cc(ccc2N2[C@@H]1[C@@H]1C[C@H](C2)Cn2c1cccc2=O)NC(=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 C29H34N6O5 MW 546.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N6O5/c1-17(36)31-20-6-7-23-19(13-20)14-22(29(38)30-10-8-26-32-25(33-40-26)9-11-39-2)28-21-12-18(16-35(23)28)15-34-24(21)4-3-5-27(34)37/h3-7,13,18,21-22,28H,8-12,14-16H2,1-2H3,(H,30,38)(H,31,36)/t18-,21+,22+,28+/m0/s1
InChIKey
NZSBRJYIGRLQED-GMDVJGGNSA-N
Synonyms

(1R9R16S16aR)4(acetylamino)N(2(3(2methoxyethyl)124oxadiazol5yl)ethyl)12oxo1910121616ahexahydro2H8H916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1R9R16S16aR)4acetamidoN(2(3(2methoxyethyl)124oxadiazol5yl)ethyl)12oxo128910121616aoctahydro916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1S2R3R13R)7acetamidoN(2(3(2methoxyethyl)124oxadiazol5yl)ethyl)16oxo1115diazapentacyclo(11710211051001520)henicosa5(10)681719pentaene3carboxamide
145705304
COCCc1noc(n1)CCNC(=O)(C@@H)1Cc2cc(ccc2N2(C@@H)1(C@@H)1C(C@H)(C2)Cn2c1cccc2=O)NC(=O)C
InChI=1SC29H34N6O5c117(36)3120672319(1320)1422(29(38)30108263225(334026)911392)28211218(1635(23)28)153424(21)43527(34)37h371318212228H8121416H212H3(H3038)(H3136)t1821+22+28+m0s1
MFCD32651008
ZINC001848443394

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Available files

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