(3S,4aS,8aS)-2-[(2R,3S)-3-[[(2S)-2-acetamido-3-naphthalen-2-ylsulfonylpropanoyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
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![(3S,4aS,8aS)-2-[(2R,3S)-3-[[(2S)-2-acetamido-3-naphthalen-2-ylsulfonylpropanoyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7698150e64ee42098fabef20172ac58a.png "(3S,4aS,8aS)-2-[(2R,3S)-3-[[(2S)-2-acetamido-3-naphthalen-2-ylsulfonylpropanoyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide")
(3S,4aS,8aS)-2-[(2R,3S)-3-[[(2S)-2-acetamido-3-naphthalen-2-ylsulfonylpropanoyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
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CAS No:
159878-24-7
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Formula:
C39H52N4O6S
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Chemical Name:
(3S,4aS,8aS)-2-[(2R,3S)-3-[[(2S)-2-acetamido-3-naphthalen-2-ylsulfonylpropanoyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
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Synonyms:
159878-24-7;3-Isoquinolinecarboxamide, 2-(3-((2-(acetylamino)-3-(2-naphthalenylsulfonyl)-1-oxopropyl)amino)-2-hydroxy-4-phenylbutyl)-N-(1,1-dimethylethyl)decahydro-, (3S-(2(2S*,3R*(R*)),3alpha,4abeta,8abeta))-;BDBM812;CHEMBL432784;Saquinavir/Nelfinavir deriv. 16;DTXSID90166760;(3S,4aS,8aS)-2-[(2R,3S)-3-[[(2S)-2-acetamido-3-(2-naphthylsulfonyl)propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide;(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-3-[(2S)-2-acetamido-3-(naphthalene-2-sulfonyl)propanamido]-2-hydroxy-4-phenylbutyl]-decahydroisoquinoline-3-carboxamide;3-Isoquinolinecarboxamide, 2-[3-[[2-(acetylamino)-3-(2-naphthalenylsulfonyl)-1-oxopropyl]amino]-2-hydroxy-4-phenylbutyl]-N-(1,1-dimethylethyl)decahydro-, [3S-[2[2S*,3R*(R*)],3a,4ab,8ab]]-
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CAS No:
(3S,4aS,8aS)-2-[(2R,3S)-3-[[(2S)-2-acetamido-3-naphthalen-2-ylsulfonylpropanoyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide Basic Attributes
704.9 g/mol
704.36075656 g/mol
DTXSID90166760
Computed Properties
Molecular Weight:704.9
XLogP3:5.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:13
Exact Mass:704.36075656
Monoisotopic Mass:704.36075656
Topological Polar Surface Area:153
Heavy Atom Count:50
Complexity:1260
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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