Phenylmethyl N-[(1S)-1-[[(1-formyl-2-phenylethyl)amino]carbonyl]-2-methylpropyl]carbamate
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![Phenylmethyl N-[(1S)-1-[[(1-formyl-2-phenylethyl)amino]carbonyl]-2-methylpropyl]carbamate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/94af9ea8578d4f5c992d03b8439f8e1d.png "Phenylmethyl N-[(1S)-1-[[(1-formyl-2-phenylethyl)amino]carbonyl]-2-methylpropyl]carbamate")
Phenylmethyl N-[(1S)-1-[[(1-formyl-2-phenylethyl)amino]carbonyl]-2-methylpropyl]carbamate
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CAS No:
88191-84-8
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Formula:
C22H26N2O4
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Chemical Name:
Phenylmethyl N-[(1S)-1-[[(1-formyl-2-phenylethyl)amino]carbonyl]-2-methylpropyl]carbamate
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Synonyms:
Carbamic acid,N-[(1S)-1-[[(1-formyl-2-phenylethyl)amino]carbonyl]-2-methylpropyl]-,phenylmethyl ester;Carbamic acid,[(1S)-1-[[(1-formyl-2-phenylethyl)amino]carbonyl]-2-methylpropyl]-,phenylmethyl ester;Phenylmethyl N-[(1S)-1-[[(1-formyl-2-phenylethyl)amino]carbonyl]-2-methylpropyl]carbamate;MDL 28170;Calpain Inhibitor III;Calp III;195050-81-8
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CAS No:
Description
Z-Val-Phe-H is a dipeptide resulting from the formal condensation of the carboxy group of N-benzyloxycarbonyl-L-valine with the amino group of L-phenylalanine aldehyde. It is a potent cell-permeable inhibitor of calpain I and II, and is also a gamma-secretase inhibitor. It has a role as an EC 3.4.22.53 (calpain-2) inhibitor, an EC 3.4.22.52 (calpain-1) inhibitor, an EC 3.4.23.46 (memapsin 2) inhibitor, an antileishmanial agent and an apoptosis inhibitor. It is an aldehyde, a dipeptide and a carbamate ester.
Phenylmethyl N-[(1S)-1-[[(1-formyl-2-phenylethyl)amino]carbonyl]-2-methylpropyl]carbamate Basic Attributes
382.5
382.18925731
618-124-4
WCJ9LQ197S
Drug Information
Exogenous and endogenous compounds which inhibit CYSTEINE ENDOPEPTIDASES. (See all compounds classified as Cysteine Proteinase Inhibitors.)
CalI III
Computed Properties
Molecular Weight:382.5
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:10
Exact Mass:382.18925731
Monoisotopic Mass:382.18925731
Topological Polar Surface Area:84.5
Heavy Atom Count:28
Complexity:497
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Phenylmethyl N-[(1S)-1-[[(1-formyl-2-phenylethyl)amino]carbonyl]-2-methylpropyl]carbamate
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