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(1R,9R,16S,16aR)-4-(acetylamino)-N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-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
STL561681
SMILES COc1ccccc1C(c1ccco1)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 C36H38N4O5 MW 606.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H38N4O5/c1-22(41)38-25-12-13-30-24(18-25)19-29(35-28-17-23(21-40(30)35)20-39-31(28)8-5-11-34(39)42)36(43)37-15-14-27(33-10-6-16-45-33)26-7-3-4-9-32(26)44-2/h3-13,16,18,23,27-29,35H,14-15,17,19-21H2,1-2H3,(H,37,43)(H,38,41)/t23-,27?,28+,29+,35+
InChIKey
JWGZQAOWWBKGIV-XSZXNNEJSA-N
Synonyms

(1R9R16S16aR)4(acetylamino)N(3(furan2yl)3(2methoxyphenyl)propyl)12oxo1910121616ahexahydro2H8H916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1R9R16S16aR)4acetamidoN(3(furan2yl)3(2methoxyphenyl)propyl)12oxo128910121616aoctahydro916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1S2R3R13R)7acetamidoN(3(furan2yl)3(2methoxyphenyl)propyl)16oxo1115diazapentacyclo(11710211051001520)henicosa5(10)681719pentaene3carboxamide
145705038
COc1ccccc1C(c1ccco1)CCNC(=O)(C@@H)1Cc2cc(ccc2N2(C@@H)1(C@@H)1C(C@H)(C2)Cn2c1cccc2=O)NC(=O)C
InChI=1SC36H38N4O5c122(41)382512133024(1825)1929(35281723(2140(30)35)203931(28)851134(39)42)36(43)37151427(33106164533)26734932(26)442h313161823272935H1415171921H212H3(H3743)(H3841)t2327?28+29+35+m0s1
MFCD32650746
ZINC001848442804
ZINC001848442805

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Available files

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