acetic acid;(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoic acid
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![acetic acid;(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/cf5f858027eb4c2cb76afe8eab4778f1.png "acetic acid;(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoic acid")
acetic acid;(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoic acid
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CAS No:
131400-71-0
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Formula:
C22H36N4O10
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Chemical Name:
acetic acid;(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoic acid
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Synonyms:
Lys-Tyr-Ser-Ac;lysyl-tyrosyl-serine acetate;Lysyl-tyrosyl-serine acetate;131400-71-0;L-Serine, N-(N-L-lysyl-L-tyrosyl)-, diacetate (salt);Lys-tyr-ser-Ac;DTXSID40927181;Acetic acid--N-{2-[(2,6-diamino-1-hydroxyhexylidene)amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene}serine (2/1)
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CAS No:
acetic acid;(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoic acid Basic Attributes
516.5 g/mol
516.24314336 g/mol
Computed Properties
Molecular Weight:516.5
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:12
Exact Mass:516.24314336
Monoisotopic Mass:516.24314336
Topological Polar Surface Area:263
Heavy Atom Count:36
Complexity:541
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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