methyl N-[(2S)-1-[[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]amino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate
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![methyl N-[(2S)-1-[[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]amino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0cb46cd5cfc644e481852d8c4e7108dd.png "methyl N-[(2S)-1-[[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]amino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate")
methyl N-[(2S)-1-[[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]amino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate
structure -
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CAS No:
612547-11-2
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Formula:
C33H44N4O6S
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Chemical Name:
methyl N-[(2S)-1-[[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]amino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate
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Synonyms:
PL 100;PL-100;PL100 cpd;PPL-100;PL-100;PL 100 (pharmaceutical);MX-100;PPL 100;TMB-607;UNII-JRI5GOF0K0;JRI5GOF0K0;612547-11-2;MK-8122;Methyl N-((1S)-1-(((5S)-5-((4-aminophenyl)sulfonyl-isobutyl-amino)-6-hydroxy-hexyl)carbamoyl)-2,2-diphenyl-ethyl)carbamate;PL 100;N-[(5s)-5-{[(4-Aminophenyl)sulfonyl](Isobutyl)amino}-6-Hydroxyhexyl]-Nalpha-(Methoxycarbonyl)-Beta-Phenyl-L-Phenylalaninamide;CHEMBL168640;Carbamic acid, ((1S)-1-((((5S)-5-(((4-aminophenyl)sulfonyl)(2-methylpropyl)amino)-6-hydroxyhexyl)amino)carbonyl)-2,2-diphenylethyl)-, methyl ester;carbamic acid, [(1S)-1-[[[(5S)-5-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-6-hydroxyhexyl]amino]carbonyl]-2,2-diphenylethyl]-, methyl ester;methyl N-[(1S)-1-[[(5S)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]carbamoyl]-2,2-diphenyl-ethyl]carbamate;SCHEMBL757685;EX-A518;ZINC3925398;ABP000912;BDBM50482335;PL-100/PL100;DB05961;methyl N-[(2S)-1-[[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]amino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate;QC-11709;J-690335;Q27457059;((1S)-1-{(5S)-5-[(4-Amino-benzenesulfonyl)-isobutyl-amino]-6-hydroxy-hexylcarbamoyl}-2,2-diphenyl-ethyl)-carbamic acid methyl ester;A00;N-[(5S)-5-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-6-hydroxyhexyl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
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CAS No:
methyl N-[(2S)-1-[[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]amino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate Basic Attributes
624.8 g/mol
624.29815631 g/mol
JRI5GOF0K0
Drug Information
Investigated for use/treatment in HIV infection.
PPL-100 is a promising protease inhibitor which binds specifically to HIV-1 protease. It has been shown activity against several HIV-1 strains specifically selected for key mutations that render these strains resistant to currently marketed protease inhibitors
PL 100
Computed Properties
Molecular Weight:624.8
XLogP3:4.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:17
Exact Mass:624.29815631
Monoisotopic Mass:624.29815631
Topological Polar Surface Area:159
Heavy Atom Count:44
Complexity:936
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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