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

Catalog ID
STK589201
SMILES O=C([C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C)Nc1ccc2c(c1)OCCO2

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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 C26H31N3O6 MW 481.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O6/c1-16(23(30)28-19-9-10-21-22(14-19)34-12-11-33-21)27-24(31)20-13-17-7-5-6-8-18(17)15-29(20)25(32)35-26(2,3)4/h5-10,14,16,20H,11-13,15H2,1-4H3,(H,27,31)(H,28,30)/t16-,20-/m0/s1
InChIKey
OAGQBZCINKZMEE-JXFKEZNVSA-N
Synonyms
1014003-69-0
(S)tertbutyl3(((R)1((23dihydrobenzo(b)(14)dioxin6yl)amino)1oxopropan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
1014003690
CC(C(=O)NC1=CC2=C(C=C1)OCCO2)NC(=O)C3CC4=CC=CC=C4CN3C(=O)OC(C)(C)C
InChI=1SC26H31N3O6c116(23(30)28199102122(1419)3412113321)2724(31)201317756818(17)1529(20)25(32)3526(23)4h510141620H111315H214H3(H2731)(H2830)t1620m0s1
MFCD06782921
O=C((C@@H)(NC(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C)C)Nc1ccc2c(c1)OCCO2
O=C((C@H)(NC(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C)C)Nc1ccc2c(c1)OCCO2
tertbutyl(3S)3(((2S)1(23dihydro14benzodioxin6ylamino)1oxopropan2yl)carbamoyl)34dihydro1Hisoquinoline2carboxylate
tertbutyl(3S)3(((2S)1(23dihydro14benzodioxin6ylamino)1oxopropan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
ZINC000013571664
ZINC13571664

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Available files

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