3-(3-(R)-(((2,3-Dihydro-3-pyranyloxy)carbonyl)amino)-4-phenyl-2(R)-hydroxybutyl)-N-(1,1-dimethylethyl)-3-decahydroisoquinolinecarboxamide
Basic information
- CAS
145680-06-4- Standard SMILES
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1C=CCOC1- InChIKey
LYPBPTICLJCIAA-YECVLQETSA-N- Molecular formula
- C30H45N3O5
- Average molar mass
- 527.7 g/mol
- Monoisotopic mass
- 527.33592154
Names & identifiers
- Preferred name
- 3-(3-(R)-(((2,3-Dihydro-3-pyranyloxy)carbonyl)amino)-4-phenyl-2(R)-hydroxybutyl)-N-(1,1-dimethylethyl)-3-decahydroisoquinolinecarboxamide
- IUPAC
- [(3R)-3,6-dihydro-2H-pyran-3-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
Names & synonyms
145680-06-43-(3-(R)-(((2,3-Dihydro-3-pyranyloxy)carbonyl)amino)-4-phenyl-2(R)-hydroxybutyl)-N-(1,1-dimethylethyl)-3-decahydroisoquinolinecarboxamideCarbamic acid, (3-(3-(((1,1-dimethylethyl)amino)carbonyl)octahydro-2(1H)-isoquinolinyl)-2-hydroxy-1-(phenylmethyl)propyl)-, 3,6-dihydro-2H-pyran-3-yl ester, (3S-(2(1R*(S*),2S*),3alpha,4abeta,8abeta))-3-[3-(R)-[[(2,3-Dihydro-3-pyranyloxy)carbonyl]amino]-4-phenyl-2(R)-hydroxybutyl]-N-(1,1-dimethylethyl)-3-decahydroisoquinolinecarboxamideCHEMBL99600DTXSID60932671(3S,4aS,8aS)-N-tert-Butyl-2-[(2R,3S)-3-{[{[(3R)-3,6-dihydro-2H-pyran-3-yl]oxy}(hydroxy)methylidene]amino}-2-hydroxy-4-phenylbutyl]decahydroisoquinoline-3-carboximidic acid[(3R)-3,6-dihydro-2H-pyran-3-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]carbamateCarbamic acid, [3-[3-[[(1,1-dimethylethyl)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-, 3,6-dihydro-2H-pyran-3-yl ester, [3S-[2[1R*(S*),2S*],3.alpha.,4a.beta.,8a.beta.]]-N-tert-Butyl-2-[3-({[(3,6-dihydro-2H-pyran-3-yl)oxy](hydroxy)methylidene}amino)-2-hydroxy-4-phenylbutyl]decahydroisoquinoline-3-carboximidic acid
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 806
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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