(S)-N1-((2S,3R)-4-((3S,4AS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl)-3-hydroxy-1-phenylbutan-2-yl)-2-(quinoline-2-carboxamido)succinamide methanesulfonate

Catalog No. :: ACPSNB750
CAS No. :: 149845-06-7
Molecular Formula :: C39H54N6O8S
Molecular Weight :: 766.96

IUPAC Name:(S)-N1-((2S,3R)-4-((3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl)-3-hydroxy-1-phenylbutan-2-yl)-2-(quinoline-2-carboxamido)succinamide methanesulfonate

(S)-N1-((2S,3R)-4-((3S,4AS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl)-3-hydroxy-1-phenylbutan-2-yl)-2-(quinoline-2-carboxamido)succinamide methanesulfonate structure diagram

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Product Information

Product Name	(S)-N1-((2S,3R)-4-((3S,4AS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl)-3-hydroxy-1-phenylbutan-2-yl)-2-(quinoline-2-carboxamido)succinamide methanesulfonate
IUPAC Name	(S)-N1-((2S,3R)-4-((3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl)-3-hydroxy-1-phenylbutan-2-yl)-2-(quinoline-2-carboxamido)succinamide methanesulfonate
MDL No.	MFCD00944907
Molecular Formula	C39H54N6O8S
Molecular Weight	766.96
SMILES	CS(=O)(O)=O.O=C(C1=NC2=C(C=CC=C2)C=C1)N[C@@H](CC(N)=O)C(N[C@@H](CC3=CC=CC=C3)[C@H](O)CN4[C@@H](C[C@@]5([H])[C@@](CCCC5)([H])C4)C(NC(C)(C)C)=O)=O
InChI Key	IRHXGOXEBNJUSN-YOXDLBRISA-N
Synonym	RO 31-8959;SAQUINAVIR MESYLATE;INVIRASE;FORTOVASE;(2S)-N1[(1S,2R)-3-[(3S,4aS,8aS)-3-[[(1,1-Dimethylethyl)amino]carbonyl]octahydro-2-(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-2-[(2-quinolinylcarbonyl)amino]butanediamide Mesylate;Ro 31-895;Butanediamide, N1-[(1S,2R)-3-[(3S,4aS,8aS)-3-[[(1,1-dimethylethyl)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-2-[(2-quinolinylcarbonyl)amino]-, (2S)-, monomethanesulfonate (salt) (9CI);Butanediamide, N1-[3-[3-[[(1,1-dimethylethyl)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-2-[(2-quinolinylcarbonyl)amino]-, [3S-[2[1R(R),2S*],3a,4ab,8ab]]-, monomethanesulfonate (salt)
CAS No.	149845-06-7
PubChem CID	60934

Safety Data

Pictogram
Signal Word: Warning
Hazard Statement(s): H302-H315-H319-H335
Precautionary Statement(s): P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Synthetic Route by SureRoute

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ACPSNB750149845-06-7

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(S)-N1-((2S,3R)-4-((3S,4AS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl)-3-hydroxy-1-phenylbutan-2-yl)-2-(quinoline-2-carboxamido)succinamide methanesulfonate

Product Information

Safety Data

Synthetic Route by SureRoute

1. ACPSNB750 Molecular Building Block Synthetic Route

2. ACPSNB750 Molecular Building Block Synthetic Route

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(S)-N1-((2S,3R)-4-((3S,4AS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl)-3-hydroxy-1-phenylbutan-2-yl)-2-(quinoline-2-carboxamido)succinamide methanesulfonate

Product Information

Safety Data

Synthetic Route by SureRoute

(S)-N1-((2S,3R)-4-((3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl)-3-hydroxy-1-phenylbutan-2-yl)-2-(quinoline-2-carboxamido)succinamide

N1-[3-[[[(1,1-Dimethylethyl)amino]carbonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-2-[(2-quinolinylcarbonyl)amino]butanediamide

Telinavir

Palinavir

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