previous compound ID: 990 next compound
InChIKey: IRHXGOXEBNJUSN-YOXDLBRISA-N
SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O.CS(=O)(=O)O

biological descriptors:

CFTR relevance: unspecified

Category:
Influence on CFTR function unknown
Order of interaction unknown
subcellular compartment unknown

reference list:

ReferenceID: 53
"J Goepp" "R Robert" "SD Macknight" "D Rotin" "E Matthes" "GW Carlile" "J Liao" "DY Thomas" "JW Hanrahan" "B Kus"

chemical graph of compound 990





CID is 60934
synonyms found at PubChem are:
Saquinavir mesylate, 149845-06-7, Invirase, Fortovase, Saquinavir mesilate, Saquinavir, Mesylate, UNII-UHB9Z3841A, Ro 31-8959/003, Saquinavir monomethanesulfonate salt, UHB9Z3841A, CHEBI:32121, Saquinavir mesylate (AIDS Initiative), NCGC00091469-01, Invirase (TN), DSSTox_CID_3835, DSSTox_RID_77202, DSSTox_GSID_23835, (S)-N-((alphaS)-alpha-((1R)-2-((3S,4aS,8aS)-3-(tert-Butylcarbamoyl)octahydro-2(1H)-isoquinolyl)-1-hydroxyethyl)phenethyl)-2-quinaldamidosuccinamide monomethanesulfonate (salt), Ro 31-8959, (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 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, Butanediamide, N(sup 1)-(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*),3alpha,4abeta,8abeta))-, monomethanesulfonate (salt), 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), Saquinavir mesylate [USAN], Saquinavir mesylate [USAN:USP], (2S)-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]-2-(quinoline-2-carbonylamino)butanediamide;methanesulfonic acid, N1-{(1S,2R)-1-benzyl-3-[(3S,4aS,8aS)-3-[(tert-butylamino)carbonyl]octahydroisoquinolin-2(1H)-yl]-2-hydroxypropyl}-N2-(quinolin-2-ylcarbonyl)-L-aspartamide methanesulfonate (salt), C38H50N6O5, CAS-149845-06-7, Saquinavir mesilate (JAN), Saquinavir mesylate (USP), AC1L1U6R, SCHEMBL42352, MLS001401395, Saquinavir Monomethanesulfonate, CHEMBL282042, DTXSID9023835, CTK8E9063, AOB1668, IRHXGOXEBNJUSN-YOXDLBRISA-N, MolPort-005-935-781, HMS1571O10, HMS2051D04, HMS2098O10, HMS2231C15, HMS3715O10, 149845-06-7 (mesylate), Tox21_111137, Tox21_202533, 127779-20-8 (Parent), LS-872, MFCD00944907, 127779-20-8 (base), AKOS015962362, AC-1333, CCG-100992, KS-1110, NC00242, NCGC00260082-01, AN-15024, BC680513, CPD000469290, R-56, SAM001246578, SMR000469290, Ro-318959003, RT-015634, Ro-31-8959-003, Ro-31-8959/003, Saquinavir mesylate, >=98% (HPLC), powder, C12560, D01160, W-5240, 845S067, SR-01000763454, J-008634, SR-01000763454-4, Saquinavir mesilate, European Pharmacopoeia (EP) Reference Standard, Saquinavir mesylate, United States Pharmacopeia (USP) Reference Standard, Saquinavir for system suitability, European Pharmacopoeia (EP) Reference Standard, (2S)-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]-2-(quinoline-2-carbonylamino)butanediamide; methanesulfonic acid, (2S)-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]-2-(quinoline-2-carbonylamino)butanediamide; methanesulfonic acid, (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 methanesulfonate, (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, N-t-butyl-decahydro-2-[2(R)-hydroxy-4-phenyl-3(S)-[[N-(2-quinolylcarbonyl)-L-asparaginyl]amino]butyl]-(4aS,8aS)-isoquinoline-3(S)-carboxamide methanesulphonate