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(1R,9R,16S,16aR)-4-(acetylamino)-12-oxo-N-{2-[(pyridin-4-ylcarbonyl)amino]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
STL561695
SMILES CC(=O)Nc1ccc2c(c1)C[C@H]([C@@H]1N2C[C@H]2C[C@@H]1c1n(C2)c(=O)ccc1)C(=O)NCCNC(=O)c1ccncc1

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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 C30H32N6O4 MW 540.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N6O4/c1-18(37)34-22-5-6-25-21(14-22)15-24(30(40)33-12-11-32-29(39)20-7-9-31-10-8-20)28-23-13-19(17-36(25)28)16-35-26(23)3-2-4-27(35)38/h2-10,14,19,23-24,28H,11-13,15-17H2,1H3,(H,32,39)(H,33,40)(H,34,37)/t19-,23+,24+,28+/m0/s1
InChIKey
QIJAMLDQWGWXTA-PBDIFJQKSA-N
Synonyms

(1R9R16S16aR)4(acetylamino)12oxoN(2((pyridin4ylcarbonyl)amino)ethyl)1910121616ahexahydro2H8H916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1R9R16S16aR)4acetamidoN(2(isonicotinamido)ethyl)12oxo128910121616aoctahydro916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1S2R3R13R)7acetamido16oxoN(2(pyridine4carbonylamino)ethyl)1115diazapentacyclo(11710211051001520)henicosa5(10)681719pentaene3carboxamide
145705052
CC(=O)Nc1ccc2c(c1)C(C@H)((C@@H)1N2C(C@H)2C(C@@H)1c1n(C2)c(=O)ccc1)C(=O)NCCNC(=O)c1ccncc1
InChI=1SC30H32N6O4c118(37)3422562521(1422)1524(30(40)3312113229(39)20793110820)28231319(1736(25)28)163526(23)32427(35)38h2101419232428H11131517H21H3(H3239)(H3340)(H3437)t1923+24+28+m0s1
MFCD32650760
ZINC001848442971

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Available files

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