(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
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![(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/43c8ca95293e429c8125f16086d1af06.png "(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid")
(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
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CAS No:
112275-27-1
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Formula:
C27H42N4O6S
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Chemical Name:
(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
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Synonyms:
Chemotactic tetrapeptide;
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CAS No:
(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid Basic Attributes
550.71100
550.28250625 g/mol
DTXSID90149972
Computed Properties
Molecular Weight:550.7
XLogP3:2.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:17
Exact Mass:550.28250625
Monoisotopic Mass:550.28250625
Topological Polar Surface Area:179
Heavy Atom Count:38
Complexity:775
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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