(S)-N-[(S)-2-Methyl-1-oxobutyl]-L-phenylalanine(S)-1-[(2S,3S)-3-acetoxy-1-[(S)-2-amino-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-2-carboxyethylester
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![(S)-N-[(S)-2-Methyl-1-oxobutyl]-L-phenylalanine(S)-1-[(2S,3S)-3-acetoxy-1-[(S)-2-amino-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-2-carboxyethylester structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1154e8b438ba434ebbd5ed19236ef7e2.png "(S)-N-[(S)-2-Methyl-1-oxobutyl]-L-phenylalanine(S)-1-[(2S,3S)-3-acetoxy-1-[(S)-2-amino-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-2-carboxyethylester")
(S)-N-[(S)-2-Methyl-1-oxobutyl]-L-phenylalanine(S)-1-[(2S,3S)-3-acetoxy-1-[(S)-2-amino-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-2-carboxyethylester
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CAS No:
37878-19-6
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Formula:
C28H41N3O8
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Chemical Name:
(S)-N-[(S)-2-Methyl-1-oxobutyl]-L-phenylalanine(S)-1-[(2S,3S)-3-acetoxy-1-[(S)-2-amino-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-2-carboxyethylester
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Synonyms:
(S)-N-[(S)-2-Methyl-1-oxobutyl]-L-phenylalanine (S)-1-[(2S,3S)-3-acetoxy-1-[(S)-2-amino-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-2-carboxyethyl ester;Detoxin D1;L-Phenylalanine, N-(2-methyl-1-oxobutyl)-, (1S)-1-[(2S,3R)-3-(acetyloxy)-1-[(2S)-2-amino-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-2-carboxyethyl ester (9CI)
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CAS No:
(S)-N-[(S)-2-Methyl-1-oxobutyl]-L-phenylalanine(S)-1-[(2S,3S)-3-acetoxy-1-[(S)-2-amino-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-2-carboxyethylester Basic Attributes
547.64
547.28936527
Computed Properties
Molecular Weight:547.6
XLogP3:0.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:15
Exact Mass:547.28936527
Monoisotopic Mass:547.28936527
Topological Polar Surface Area:165
Heavy Atom Count:39
Complexity:873
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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