(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-[(2S)-3-methyl-2-[(2-oxopiperidin-3-yl)amino]butanoyl]pyrrolidine-2-carboxamide
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![(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-[(2S)-3-methyl-2-[(2-oxopiperidin-3-yl)amino]butanoyl]pyrrolidine-2-carboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/df0683c909e14f4892e4e48643f204be.png "(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-[(2S)-3-methyl-2-[(2-oxopiperidin-3-yl)amino]butanoyl]pyrrolidine-2-carboxamide")
(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-[(2S)-3-methyl-2-[(2-oxopiperidin-3-yl)amino]butanoyl]pyrrolidine-2-carboxamide
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CAS No:
107759-05-7
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Formula:
C24H35N5O4
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Chemical Name:
(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-[(2S)-3-methyl-2-[(2-oxopiperidin-3-yl)amino]butanoyl]pyrrolidine-2-carboxamide
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Synonyms:
cyclo(Orn)-Phe-Pro-Val;cyclo(ornithyl)phenylalanyl-prolyl-valine;Phe-Pro-Val-cyclo(Orn);107759-05-7;Cyclo(orn)-phe-pro-val;Phe-pro-val-cyclo(orn);Cyclo(ornithyl)phenylalanyl-prolyl-valine;DTXSID60910515;N-[N-(2-Hydroxy-3,4,5,6-tetrahydropyridin-3-yl)valyl]-1-phenylalanylpyrrolidine-2-carboximidic acid
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CAS No:
(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-[(2S)-3-methyl-2-[(2-oxopiperidin-3-yl)amino]butanoyl]pyrrolidine-2-carboxamide Basic Attributes
457.6 g/mol
457.26890461 g/mol
Computed Properties
Molecular Weight:457.6
XLogP3:1.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:457.26890461
Monoisotopic Mass:457.26890461
Topological Polar Surface Area:134
Heavy Atom Count:33
Complexity:722
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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