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(3R)-N-[(2S)-1-{[(2S)-1-hydroxy-3-methylbutan-2-yl]amino}-4-(methylsulfanyl)-1-oxobutan-2-yl]-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

Catalog ID
STL541767
SMILES CSCC[C@@H](C(=O)N[C@@H](C(C)C)CO)NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1

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Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C23H33N3O4S2 MW 479.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H33N3O4S2/c1-13(2)17(12-27)25-19(28)16(10-11-31-5)24-20(29)18-23(3,4)32-22-15-9-7-6-8-14(15)21(30)26(18)22/h6-9,13,16-18,22,27H,10-12H2,1-5H3,(H,24,29)(H,25,28)/t16-,17+,18+,22?/m0/s1
InChIKey
NJKWRELJUIOCCZ-UBTYJOTCSA-N
Synonyms
957024-64-5
(3~(R))~(N)((2~(S))1(((2~(S))1hydroxy3methylbutan2yl)amino)4methylsulfanyl1oxobutan2yl)22dimethyl5oxo39~(b)dihydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((2S)1(((2S)1hydroxy3methylbutan2yl)amino)4(methylsulfanyl)1oxobutan2yl)22dimethyl5oxo2359btetrahydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((S)1(((S)1hydroxy3methylbutan2yl)amino)4(methylthio)1oxobutan2yl)22dimethyl5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
16406634
957024645
CSCC(C@@H)(C(=O)N(C@@H)(C(C)C)CO)NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1
InChI=1SC23H33N3O4S2c113(2)17(1227)2519(28)16(1011315)2420(29)1823(34)322215976814(15)21(30)26(18)22h691316182227H1012H215H3(H2429)(H2528)t1617+18+22?m0s1
ZINC000008876929
ZINC000012890361

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Available files

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