L-Alaninamide, N-(3-methyl-1-oxobutyl)-L-phenylalanyl-L-norleucyl-(3S,4S)-4-amino-3-hydroxy-6-methylheptanoyl-N-[(1S)-1-[(1S)-2-carboxy-1-hydroxyethyl]-3-methylbutyl]-
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![L-Alaninamide, N-(3-methyl-1-oxobutyl)-L-phenylalanyl-L-norleucyl-(3S,4S)-4-amino-3-hydroxy-6-methylheptanoyl-N-[(1S)-1-[(1S)-2-carboxy-1-hydroxyethyl]-3-methylbutyl]- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/beaab2fcafad44b9a53383aba149db65.png "L-Alaninamide, N-(3-methyl-1-oxobutyl)-L-phenylalanyl-L-norleucyl-(3S,4S)-4-amino-3-hydroxy-6-methylheptanoyl-N-[(1S)-1-[(1S)-2-carboxy-1-hydroxyethyl]-3-methylbutyl]-")
L-Alaninamide, N-(3-methyl-1-oxobutyl)-L-phenylalanyl-L-norleucyl-(3S,4S)-4-amino-3-hydroxy-6-methylheptanoyl-N-[(1S)-1-[(1S)-2-carboxy-1-hydroxyethyl]-3-methylbutyl]-
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CAS No:
98092-14-9
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Formula:
C39H65N5O9
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Chemical Name:
L-Alaninamide, N-(3-methyl-1-oxobutyl)-L-phenylalanyl-L-norleucyl-(3S,4S)-4-amino-3-hydroxy-6-methylheptanoyl-N-[(1S)-1-[(1S)-2-carboxy-1-hydroxyethyl]-3-methylbutyl]-
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Synonyms:
Isovaleryl-Phe-Nle-Sta-Ala-Sta-OH; Pepstatin A, 1-[N-(3-methyl-1-oxobutyl)-L-phenylalanine]-2-L-norleucine-; L-Norleucinamide, N-(3-methyl-1-oxobutyl)-L-phenylalanyl-N-[4-[[2-[[1-(2-carboxy-1-hydroxyethyl)-3-methylbutyl]amino]-1-methyl-2-oxoethyl]amino]-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl]-, [1S-[1R*,2R*,4[R*[R*(R*)]]]]-;
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CAS No:
L-Alaninamide, N-(3-methyl-1-oxobutyl)-L-phenylalanyl-L-norleucyl-(3S,4S)-4-amino-3-hydroxy-6-methylheptanoyl-N-[(1S)-1-[(1S)-2-carboxy-1-hydroxyethyl]-3-methylbutyl]- Basic Attributes
747.96100
747.47822867
Computed Properties
Molecular Weight:748.0
XLogP3:4.1
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:25
Exact Mass:747.47822867
Monoisotopic Mass:747.47822867
Topological Polar Surface Area:223
Heavy Atom Count:53
Complexity:1160
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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