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

Catalog ID
STK575525
SMILES O=C(Nc1ccc2c(c1)OCCO2)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(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 C25H29N3O6 MW 467.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O6/c1-25(2,3)34-24(31)28-15-17-7-5-4-6-16(17)12-19(28)23(30)26-14-22(29)27-18-8-9-20-21(13-18)33-11-10-32-20/h4-9,13,19H,10-12,14-15H2,1-3H3,(H,26,30)(H,27,29)/t19-/m0/s1
InChIKey
CEAWWSQXLDJSNU-IBGZPJMESA-N
Synonyms
1013981-58-2
(3S)3(((2(23DIHYDRO14BENZODIOXIN6YLAMINO)2OXOETHYL)AMINO)OXOMETHYL)34DIHYDRO1HISOQUINOLINE2CARBOXYLICACIDTERTBUTYLESTER
(3S)3((2(23DIHYDRO14BENZODIOXIN6YLAMINO)2KETOETHYL)CARBAMOYL)34DIHYDRO1HISOQUINOLINE2CARBOXYLICACIDTERTBUTYLESTER
(S)tertbutyl3((2((23dihydrobenzo(b)(14)dioxin6yl)amino)2oxoethyl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
1013981582
CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC(=O)NC3=CC4=C(C=C3)OCCO4
InChI=1SC25H29N3O6c125(23)3424(31)281517754616(17)1219(28)23(30)261422(29)2718892021(1318)3311103220h491319H10121415H213H3(H2630)(H2729)t19m0s1
MFCD06777408
O=C(Nc1ccc2c(c1)OCCO2)CNC(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C
TERTBUTYL(3S)3((2(23DIHYDRO14BENZODIOXIN6YLAMINO)2OXIDANYLIDENEETHYL)CARBAMOYL)34DIHYDRO1HISOQUINOLINE2CARBOXYLATE
TERTBUTYL(3S)3((2(23DIHYDRO14BENZODIOXIN6YLAMINO)2OXOETHYL)CARBAMOYL)34DIHYDRO1HISOQUINOLINE2CARBOXYLATE
tertbutyl(3S)3((2(23dihydro14benzodioxin6ylamino)2oxoethyl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
ZINC000009487378
ZINC09487378
ZINC9487378

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Available files

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