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(3R)-N-{(2S)-1-[(1,3-benzodioxol-5-ylmethyl)amino]-4-methyl-1-oxopentan-2-yl}-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

Catalog ID
STL531932
SMILES CC(C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)C

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Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C27H31N3O5S MW 509.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O5S/c1-15(2)11-19(23(31)28-13-16-9-10-20-21(12-16)35-14-34-20)29-24(32)22-27(3,4)36-26-18-8-6-5-7-17(18)25(33)30(22)26/h5-10,12,15,19,22,26H,11,13-14H2,1-4H3,(H,28,31)(H,29,32)/t19-,22+,26?/m0/s1
InChIKey
AVASWAWPHQXNIE-YOLUFIGZSA-N
Synonyms
956965-28-9
(3~(R))~(N)((2~(S))1(13benzodioxol5ylmethylamino)4methyl1oxopentan2yl)22dimethyl5oxo39~(b)dihydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((2S)1((13benzodioxol5ylmethyl)amino)4methyl1oxopentan2yl)22dimethyl5oxo2359btetrahydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((S)1((benzo(d)(13)dioxol5ylmethyl)amino)4methyl1oxopentan2yl)22dimethyl5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
16405868
956965289
CC(C(C@@H)(C(=O)NCc1ccc2c(c1)OCO2)NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1)C
InChI=1SC27H31N3O5Sc115(2)1119(23(31)2813169102021(1216)35143420)2924(32)2227(34)362618865717(18)25(33)30(22)26h5101215192226H111314H214H3(H2831)(H2932)t1922+26?m0s1
ZINC000008876235
ZINC000008876237

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Available files

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