Benzeneacetic acid, 4-[[(2S)-2-[[[trans-4-(aminomethyl)cyclohexyl]carbonyl]amino]-1-oxo-3-phenylpropyl]amino]-, hydrochloride (1:1)
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![Benzeneacetic acid, 4-[[(2S)-2-[[[trans-4-(aminomethyl)cyclohexyl]carbonyl]amino]-1-oxo-3-phenylpropyl]amino]-, hydrochloride (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/de45ac316ba54b1db4bbc514dd2e5beb.png "Benzeneacetic acid, 4-[[(2S)-2-[[[trans-4-(aminomethyl)cyclohexyl]carbonyl]amino]-1-oxo-3-phenylpropyl]amino]-, hydrochloride (1:1)")
Benzeneacetic acid, 4-[[(2S)-2-[[[trans-4-(aminomethyl)cyclohexyl]carbonyl]amino]-1-oxo-3-phenylpropyl]amino]-, hydrochloride (1:1)
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CAS No:
128837-71-8
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Formula:
C25H31N3O4.ClH
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Chemical Name:
Benzeneacetic acid, 4-[[(2S)-2-[[[trans-4-(aminomethyl)cyclohexyl]carbonyl]amino]-1-oxo-3-phenylpropyl]amino]-, hydrochloride (1:1)
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Synonyms:
Benzeneacetic acid,4-[[(2S)-2-[[[trans-4-(aminomethyl)cyclohexyl]carbonyl]amino]-1-oxo-3-phenylpropyl]amino]-,hydrochloride (1:1);Benzeneacetic acid,4-[[2-[[[4-(aminomethyl)cyclohexyl]carbonyl]amino]-1-oxo-3-phenylpropyl]amino]-,monohydrochloride,[1(S)-trans]-;Benzeneacetic acid,4-[[(2S)-2-[[[trans-4-(aminomethyl)cyclohexyl]carbonyl]amino]-1-oxo-3-phenylpropyl]amino]-,monohydrochloride;PKSI 527
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CAS No:
Benzeneacetic acid, 4-[[(2S)-2-[[[trans-4-(aminomethyl)cyclohexyl]carbonyl]amino]-1-oxo-3-phenylpropyl]amino]-, hydrochloride (1:1) Basic Attributes
473.99200
473.2081342
Drug Information
Benzeneacetic acid, 4-((2-(((4-(aminomethyl)cyclohexyl)carbonyl)amino)-1-oxo-3-phenylpropyl)amino)-, monohydrochloride, (1(S)-trans)-
Computed Properties
Molecular Weight:474.0
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:473.2081342
Monoisotopic Mass:473.2081342
Topological Polar Surface Area:122
Heavy Atom Count:33
Complexity:619
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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