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(1R,9R,16S,16aR)-4-(acetylamino)-12-oxo-N-[3-oxo-3-(pyridin-2-ylamino)propyl]-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
STL561555
SMILES O=C(Nc1ccccn1)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 C30H32N6O4 MW 540.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N6O4/c1-18(37)33-21-8-9-24-20(14-21)15-23(30(40)32-12-10-27(38)34-26-6-2-3-11-31-26)29-22-13-19(17-36(24)29)16-35-25(22)5-4-7-28(35)39/h2-9,11,14,19,22-23,29H,10,12-13,15-17H2,1H3,(H,32,40)(H,33,37)(H,31,34,38)/t19-,22+,23+,29+/m0/s1
InChIKey
ZLMDFGGBRLANGZ-KSWFEDHFSA-N
Synonyms

(1R9R16S16aR)4(acetylamino)12oxoN(3oxo3(pyridin2ylamino)propyl)1910121616ahexahydro2H8H916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1R9R16S16aR)4acetamido12oxoN(3oxo3(pyridin2ylamino)propyl)128910121616aoctahydro916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1S2R3R13R)7acetamido16oxoN(3oxo3(pyridin2ylamino)propyl)1115diazapentacyclo(11710211051001520)henicosa5(10)681719pentaene3carboxamide
145704912
InChI=1SC30H32N6O4c118(37)3321892420(1421)1523(30(40)32121027(38)3426623113126)29221319(1736(24)29)163525(22)54728(35)39h29111419222329H1012131517H21H3(H3240)(H3337)(H313438)t1922+23+29+m0s1
MFCD32650620
O=C(Nc1ccccn1)CCNC(=O)(C@@H)1Cc2cc(ccc2N2(C@@H)1(C@@H)1C(C@H)(C2)Cn2c1cccc2=O)NC(=O)C
ZINC001848443225

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Available files

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