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(1R,9R,16S,16aR)-4-(acetylamino)-N-[5-(1H-benzimidazol-2-yl)pentyl]-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
STL561768
SMILES CC(=O)Nc1ccc2c(c1)C[C@H]([C@@H]1N2C[C@H]2C[C@@H]1c1n(C2)c(=O)ccc1)C(=O)NCCCCCc1nc2c([nH]1)cccc2

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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 C34H38N6O3 MW 578.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H38N6O3/c1-21(41)36-24-13-14-29-23(17-24)18-26(33-25-16-22(20-40(29)33)19-39-30(25)10-7-12-32(39)42)34(43)35-15-6-2-3-11-31-37-27-8-4-5-9-28(27)38-31/h4-5,7-10,12-14,17,22,25-26,33H,2-3,6,11,15-16,18-20H2,1H3,(H,35,43)(H,36,41)(H,37,38)/t22-,2
InChIKey
PRFUANPYXUMSRU-IJAIAMRJSA-N
Synonyms

(1R9R16S16aR)4(acetylamino)N(5(1Hbenzimidazol2yl)pentyl)12oxo1910121616ahexahydro2H8H916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1R9R16S16aR)N(5(1Hbenzo(d)imidazol2yl)pentyl)4acetamido12oxo128910121616aoctahydro916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1S2R3R13R)7acetamidoN(5(1Hbenzimidazol2yl)pentyl)16oxo1115diazapentacyclo(11710211051001520)henicosa5(10)681719pentaene3carboxamide
145705124
CC(=O)Nc1ccc2c(c1)C(C@H)((C@@H)1N2C(C@H)2C(C@@H)1c1n(C2)c(=O)ccc1)C(=O)NCCCCCc1nc2c((nH)1)cccc2
InChI=1SC34H38N6O3c121(41)362413142923(1724)1826(33251622(2040(29)33)193930(25)1071232(39)42)34(43)351562311313727845928(27)3831h4571012141722252633H2361115161820H21H3(H3543)(H3641)(H3738)t2225+26+33+m0s1
MFCD32650833
ZINC001848442954

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Available files

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