 Home > Encyclopedia > ethyl (3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoate

ethyl (3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoate

ethyl (3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoate structure

CAS No:
120849-36-7
Formula:
C25H47N3O6
Chemical Name:
ethyl (3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoate
Synonyms:
Isovaleryl-Val-Val-Sta-OEt;3-HYDROXY-6-METHYL-4-(3-METHYL-2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER;CHEMBL433050;120849-36-7;ethyl (3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoate;Pepsin Inhibitor;3-Hydroxy-6-methyl-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-butyrylamino}-heptanoic acid ethyl ester;IVS;CHEMBL85058;BDBM50017789;BDBM50025517;MFCD00238290;ZINC13536503;Q27461568;(3S,4S)-4-[(Isovaleryl-L-Val-L-Val-)amino]-3-hydroxy-6-methylheptanoic acid ethyl ester;(3S,4S)-3-Hydroxy-6-methyl-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-butyrylamino}-heptanoic acid ethyl ester;(3S,4S)-ethyl 3-hydroxy-6-methyl-4-((S)-3-methyl-2-((S)-3-methyl-2-(3-methylbutanamido)butanamido)butanamido)heptanoate;N-(3-methylbutanoyl)-L-valyl-N-[(1S,2S)-4-ethoxy-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl]-L-valinamide

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ethyl (3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoate Basic Attributes

Molecular Weight：

485.7 g/mol

Exact Mass：

485.34648623 g/mol

Characteristics

PSA：

134 Å²

XLogP3：

4.68000

Storage Conditions：

-15ºC

Computed Properties

Molecular Weight:485.7
XLogP3:3.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:16
Exact Mass:485.34648623
Monoisotopic Mass:485.34648623
Topological Polar Surface Area:134
Heavy Atom Count:34
Complexity:663
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl (3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoate

Basic Attributes
Characteristics
Computed Properties
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