 Home > Encyclopedia > [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate

[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate

[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate structure

CAS No:
156879-13-9
Formula:
C31H47N3O6
Chemical Name:
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Synonyms:
L 739594;L-739,594;L-739594;CHEMBL315403;156879-13-9;L 739594;L-739594;L-739,594;DTXSID30935553;Ro 31-8959-bis-Thf deriv.;BDBM50477797;Isoquinoline furanyl urethane analog. 3;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate;Hexahydrofuro(2,3-b)furan-3-yl (3-(3-(((1,1-dimethylethyl)amino)carbonyl)octahydro-2(1H)-isoquinolinyl)-2-hydroxy-1-(phenylmethyl)propyl)carbamate (3S-(2(1R*(3S*,3aR*,6aS*),2S*),3alpha,4abeta,8abeta))-;(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-3-[(3S,4aS,8aS)-3-[(tert-butylamino)carbonyl]octahydroisoquinolin-2(1H)-yl]-2-hydroxypropyl}carbamate;[(1S,2R)-1-Benzyl-2-hydroxy-3-[[(3S,4abeta,8abeta)-3-(tert-butylcarbamoyl)decahydroisoquinolin]-2-yl]propyl]carbamic acid [(3R,3abeta,6abeta)-hexahydrofuro[2,3-b]furan]-3alpha-yl ester;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(1S,2R)-3-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-1-benzyl-2-hydroxy-propyl]carbamate;Carbamic acid, (3-(3-(((1,1-dimethylethyl)amino)carbonyl)octahydro-2(1H)-isoquinolinyl)-2-hydroxy-1-(phenylmethyl)propyl)-, hexahydrofuro(2,3-b)furan-3-yl ester, (3S-(2(1R*(3S*,3aR*,6aS*),2S*),3alpha,4abeta,8abeta))-;N-tert-Butyl-2-[3-({[(hexahydrofuro[2,3-b]furan-3-yl)oxy](hydroxy)methylidene}amino)-2-hydroxy-4-phenylbutyl]decahydroisoquinoline-3-carboximidic acid

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[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate Basic Attributes

Molecular Weight：

557.7 g/mol

Exact Mass：

557.34648623 g/mol

Characteristics

PSA：

109 Å²

Drug Information

MeSH Entry Terms：

L 739594

Computed Properties

Molecular Weight:557.7
XLogP3:4.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:557.34648623
Monoisotopic Mass:557.34648623
Topological Polar Surface Area:109
Heavy Atom Count:40
Complexity:859
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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