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tert-butyl (3S)-3-{[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-methyl-1-oxobutan-2-yl]carbamoyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate

Catalog ID
STK571405
SMILES CC([C@@H](C(=O)Nc1ccc2c(c1)OCCO2)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)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 C28H35N3O6 MW 509.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N3O6/c1-17(2)24(26(33)29-20-10-11-22-23(15-20)36-13-12-35-22)30-25(32)21-14-18-8-6-7-9-19(18)16-31(21)27(34)37-28(3,4)5/h6-11,15,17,21,24H,12-14,16H2,1-5H3,(H,29,33)(H,30,32)/t21-,24-/m0/s1
InChIKey
CBOWGPVBAJLXBS-URXFXBBRSA-N
Synonyms
1013981-63-9
(S)tertbutyl3(((S)1((23dihydrobenzo(b)(14)dioxin6yl)amino)3methyl1oxobutan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
1013981639
CC((C@@H)(C(=O)Nc1ccc2c(c1)OCCO2)NC(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C)C
CC(C)C(C(=O)NC1=CC2=C(C=C1)OCCO2)NC(=O)C3CC4=CC=CC=C4CN3C(=O)OC(C)(C)C
InChI=1SC28H35N3O6c117(2)24(26(33)292010112223(1520)3613123522)3025(32)211418867919(18)1631(21)27(34)3728(34)5h61115172124H121416H215H3(H2933)(H3032)t2124m0s1
MFCD06780531
tertbutyl(3S)3(((2S)1(23dihydro14benzodioxin6ylamino)3methyl1oxobutan2yl)carbamoyl)34dihydro1Hisoquinoline2carboxylate
tertbutyl(3S)3(((2S)1(23dihydro14benzodioxin6ylamino)3methyl1oxobutan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
ZINC000009510605
ZINC09510605
ZINC9510605

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Available files

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