Caerulein, 1-de(5-oxo-L-proline)-2-de-L-glutamine-3-de-L-aspartic acid-5-L-methionine-
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Caerulein, 1-de(5-oxo-L-proline)-2-de-L-glutamine-3-de-L-aspartic acid-5-L-methionine-
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CAS No:
20988-64-1
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Formula:
C45H57N9O13S3
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Chemical Name:
Caerulein, 1-de(5-oxo-L-proline)-2-de-L-glutamine-3-de-L-aspartic acid-5-L-methionine-
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Synonyms:
CCK(27-33);CCK-7;CCK-7-sulfated;CCK-7S;cholecystokinin (27-33);cholecystokinin C-terminal heptapeptide;Cholecystokinin C-terminal heptapeptide;CCK-7;CCK-7-sulfated;20988-64-1;CCK-7S;cholecystokinin (27-33);Cck(27-33);Caerulein, 1-de(5-oxo-L-proline)-2-de-L-glutamine-3-de-L-aspartic acid-5-L-methionine-;(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-sulfooxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid;(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-sulfooxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobuta
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CAS No:
Caerulein, 1-de(5-oxo-L-proline)-2-de-L-glutamine-3-de-L-aspartic acid-5-L-methionine- Basic Attributes
1028.2 g/mol
1027.32379643 g/mol
Computed Properties
Molecular Weight:1028.2
XLogP3:-1.5
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:29
Exact Mass:1027.32379643
Monoisotopic Mass:1027.32379643
Topological Polar Surface Area:419
Heavy Atom Count:70
Complexity:1880
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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