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(1R,9R,16S,16aR)-4-(acetylamino)-12-oxo-N-[3-oxo-3-(1,3-thiazol-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
STL561929
SMILES CC(=O)Nc1ccc2c(c1)C[C@H]([C@@H]1N2C[C@H]2C[C@@H]1c1n(C2)c(=O)ccc1)C(=O)NCCC(=O)Nc1nccs1

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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 C28H30N6O4S MW 546.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N6O4S/c1-16(35)31-19-5-6-22-18(12-19)13-21(27(38)29-8-7-24(36)32-28-30-9-10-39-28)26-20-11-17(15-34(22)26)14-33-23(20)3-2-4-25(33)37/h2-6,9-10,12,17,20-21,26H,7-8,11,13-15H2,1H3,(H,29,38)(H,31,35)(H,30,32,36)/t17-,20+,21+,26+/m0/s1
InChIKey
QEUUIRLEFXOGHY-FVUXPIOYSA-N
Synonyms

(1R9R16S16aR)4(acetylamino)12oxoN(3oxo3(13thiazol2ylamino)propyl)1910121616ahexahydro2H8H916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1R9R16S16aR)4acetamido12oxoN(3oxo3(thiazol2ylamino)propyl)128910121616aoctahydro916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1S2R3R13R)7acetamido16oxoN(3oxo3(13thiazol2ylamino)propyl)1115diazapentacyclo(11710211051001520)henicosa5(10)681719pentaene3carboxamide
145705283
CC(=O)Nc1ccc2c(c1)C(C@H)((C@@H)1N2C(C@H)2C(C@@H)1c1n(C2)c(=O)ccc1)C(=O)NCCC(=O)Nc1nccs1
InChI=1SC28H30N6O4Sc116(35)3119562218(1219)1321(27(38)298724(36)3228309103928)26201117(1534(22)26)143323(20)32425(33)37h269101217202126H78111315H21H3(H2938)(H3135)(H303236)t1720+21+26+m0s1
MFCD32650987
ZINC001848443420

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Available files

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