tert-butyl N-[(2S)-1-[[(2R)-2-(8-hydroxyoctylamino)-2-methyl-3-phenylpropanoyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
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![tert-butyl N-[(2S)-1-[[(2R)-2-(8-hydroxyoctylamino)-2-methyl-3-phenylpropanoyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4e677d5a30724780b131476cdbbfce6e.png "tert-butyl N-[(2S)-1-[[(2R)-2-(8-hydroxyoctylamino)-2-methyl-3-phenylpropanoyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate")
tert-butyl N-[(2S)-1-[[(2R)-2-(8-hydroxyoctylamino)-2-methyl-3-phenylpropanoyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
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CAS No:
159614-69-4
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Formula:
C32H47N3O5
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Chemical Name:
tert-butyl N-[(2S)-1-[[(2R)-2-(8-hydroxyoctylamino)-2-methyl-3-phenylpropanoyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
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Synonyms:
(1-(1-(8-hydroxyoctylcarbamoyl)-1-methyl-2-phenylethylcarbamoyl)-2-phenylethyl)carbamic acid tert-butyl ester;PD 154740;PD 154740, (L,DL)-isomer;PD 154740, (L,L)-isomer;PD-154740;PD 154740;159614-69-4;PD-154740;tert-butyl N-[(2S)-1-[[(2R)-2-(8-hydroxyoctylamino)-2-methyl-3-phenylpropanoyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;PD154740;GTPL5766;DTXSID60936139;Q27088265;(1-(1-(8-Hydroxyoctylcarbamoyl)-1-methyl-2-phenylethylcarbamoyl)-2-phenylethyl)carbamic acid tert-butyl ester;2-{[tert-Butoxy(hydroxy)methylidene]amino}-N-[N-(8-hydroxyoctyl)-alpha-methylphenylalanyl]-3-phenylpropanimidic acid
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CAS No:
tert-butyl N-[(2S)-1-[[(2R)-2-(8-hydroxyoctylamino)-2-methyl-3-phenylpropanoyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate Basic Attributes
553.7 g/mol
553.35157161 g/mol
Drug Information
(1-(1-(8-hydroxyoctylcarbamoyl)-1-methyl-2-phenylethylcarbamoyl)-2-phenylethyl)carbamic acid tert-butyl ester
Computed Properties
Molecular Weight:553.7
XLogP3:5.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:18
Exact Mass:553.35157161
Monoisotopic Mass:553.35157161
Topological Polar Surface Area:117
Heavy Atom Count:40
Complexity:756
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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