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(1R,9R,16S,16aR)-4-(acetylamino)-12-oxo-N-[2-(propan-2-ylsulfamoyl)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
STL561911
SMILES CC(=O)Nc1ccc2c(c1)C[C@H]([C@@H]1N2C[C@H]2C[C@@H]1c1n(C2)c(=O)ccc1)C(=O)NCCS(=O)(=O)NC(C)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 C27H35N5O5S MW 541.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N5O5S/c1-16(2)30-38(36,37)10-9-28-27(35)22-13-19-12-20(29-17(3)33)7-8-23(19)32-15-18-11-21(26(22)32)24-5-4-6-25(34)31(24)14-18/h4-8,12,16,18,21-22,26,30H,9-11,13-15H2,1-3H3,(H,28,35)(H,29,33)/t18-,21+,22+,26+/m0/s1
InChIKey
NNQRICKVCGKWLC-XNZYNNNKSA-N
Synonyms

(1R9R16S16aR)4(acetylamino)12oxoN(2(propan2ylsulfamoyl)ethyl)1910121616ahexahydro2H8H916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1R9R16S16aR)4acetamidoN(2(Nisopropylsulfamoyl)ethyl)12oxo128910121616aoctahydro916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1S2R3R13R)7acetamido16oxoN(2(propan2ylsulfamoyl)ethyl)1115diazapentacyclo(11710211051001520)henicosa5(10)681719pentaene3carboxamide
145705265
CC(=O)Nc1ccc2c(c1)C(C@H)((C@@H)1N2C(C@H)2C(C@@H)1c1n(C2)c(=O)ccc1)C(=O)NCCS(=O)(=O)NC(C)C
InChI=1SC27H35N5O5Sc116(2)3038(3637)1092827(35)2213191220(2917(3)33)7823(19)3215181121(26(22)32)2454625(34)31(24)1418h4812161821222630H9111315H213H3(H2835)(H2933)t1821+22+26+m0s1
MFCD32650969
ZINC001848443390

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Available files

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