(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-(S-methyl-N-phosphonosulfonimidoyl)butanoyl]amino]propanoyl]amino]propanoic acid
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![(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-(S-methyl-N-phosphonosulfonimidoyl)butanoyl]amino]propanoyl]amino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/fd8efd6c785240bfb60fdfbad5e7a256.png "(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-(S-methyl-N-phosphonosulfonimidoyl)butanoyl]amino]propanoyl]amino]propanoic acid")
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-(S-methyl-N-phosphonosulfonimidoyl)butanoyl]amino]propanoyl]amino]propanoic acid
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CAS No:
41928-08-9
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Formula:
C11H23N4O8PS
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Chemical Name:
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-(S-methyl-N-phosphonosulfonimidoyl)butanoyl]amino]propanoyl]amino]propanoic acid
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Synonyms:
(N(5)-phosphono)-Met-S-sulfoximinyl-Ala-Ala;(N(5)-phosphono)methionine-S-sulfoximinyl-alanyl-alanine;L-(N(5)-phosphono)methionine-S-sulfoximinyl-L-alanyl-L-alanine;NSC 183742;PHOSPHONO-METHIONINE-S-SULFOXIMINYL-L-ALANYL-ALANINE;L-(N5-Phosphono)methionine-S-sulfoximinyl-L-alanyl-L-alanine;(N(5)-Phosphono)-met-S-sulfoximinyl-ala-ala;(N(5)-Phosphono)methionine-S-sulfoximinyl-alanyl-alanine;L-(N(5)-phosphono)methionine-S-sulfoximinyl-L-alanyl-L-alanine;L-Alanine, 4-(S-methyl-N-phosphonosulfonimidoyl)-L-2-aminobutanoyl-L-alanyl-
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CAS No:
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-(S-methyl-N-phosphonosulfonimidoyl)butanoyl]amino]propanoyl]amino]propanoic acid Basic Attributes
402.36 g/mol
402.09742188 g/mol
183742
Computed Properties
Molecular Weight:402.36
XLogP3:-4.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:402.09742188
Monoisotopic Mass:402.09742188
Topological Polar Surface Area:217
Heavy Atom Count:25
Complexity:684
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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