1,3-thiazol-5-ylmethyl N-[(2S,4S,5S)-4-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
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![1,3-thiazol-5-ylmethyl N-[(2S,4S,5S)-4-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/eec84b26e2194e3bbe21cc88988957d3.png "1,3-thiazol-5-ylmethyl N-[(2S,4S,5S)-4-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate")
1,3-thiazol-5-ylmethyl N-[(2S,4S,5S)-4-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
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CAS No:
202816-62-4
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Formula:
C37H48N6O5S2
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Chemical Name:
1,3-thiazol-5-ylmethyl N-[(2S,4S,5S)-4-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
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Synonyms:
Ritonavir 4-hydroxy isomer;4-Dehydroxy-5-hydroxy Ritonavir;202816-62-4;UNII-QA8V47KHDS;QA8V47KHDS;1,3-thiazol-5-ylmethyl N-[(2S,4S,5S)-4-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;Ritonavir impurity N [EP];Ritonavir impurity, 4-hydroxy isomer- [USP];SCHEMBL13265657;DTXSID40174138;ZINC27719506;2,7,10,12-Tetraazatridecanoic acid, 5-hydroxy-12-methyl-9-(1-methylethyl)-13-(2-(1-methylethyl)-4-thiazolyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S,5S,6S,9S)-;Thiazol-5-ylmethyl ((1S,3S,4S)-1-benzyl-3-hydroxy-4-(((2S)-3-methyl-2-((methyl((2-(1-methylethyl)thiazol-4-yl)methyl)carbamoyl)amino)butanoyl)amino)-5-phenylpentyl)carbamate;Thiazol-5-ylmethyl (2S,4S,5S)-4-hydroxy-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido(-3-methylbutanamido)-1,6-diphenylhexan-2-ylcarbamate;Q27287166;N1-((1S,2S,4S)-1-Benzyl-2-hydroxy-5-phenyl-4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}pentyl)-N2-{[[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)amino]carbonyl}-L-valinamide;thiazol-5-ylmethyl N-[(1S,3S,4S)-1-benzyl-3-hydroxy-4-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamate
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CAS No:
1,3-thiazol-5-ylmethyl N-[(2S,4S,5S)-4-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate Basic Attributes
720.9 g/mol
720.31276100 g/mol
QA8V47KHDS
DTXSID40174138
Computed Properties
Molecular Weight:720.9
XLogP3:6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:18
Exact Mass:720.31276100
Monoisotopic Mass:720.31276100
Topological Polar Surface Area:202
Heavy Atom Count:50
Complexity:1040
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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