(2R,5S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]-phosphonoamino]-2-[(2S)-2-amino-3-hydroxypropanoyl]-4-oxo-3-phosphonohexanoic acid
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![(2R,5S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]-phosphonoamino]-2-[(2S)-2-amino-3-hydroxypropanoyl]-4-oxo-3-phosphonohexanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/138754416b21456ca2628bedf1797842.png "(2R,5S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]-phosphonoamino]-2-[(2S)-2-amino-3-hydroxypropanoyl]-4-oxo-3-phosphonohexanoic acid")
(2R,5S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]-phosphonoamino]-2-[(2S)-2-amino-3-hydroxypropanoyl]-4-oxo-3-phosphonohexanoic acid
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CAS No:
148832-06-8
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Formula:
C21H33N5O15P2
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Chemical Name:
(2R,5S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]-phosphonoamino]-2-[(2S)-2-amino-3-hydroxypropanoyl]-4-oxo-3-phosphonohexanoic acid
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Synonyms:
Ala-Ser(P)-Tyr(P)-Ser-Ala;alanyl-phosphoseryl-phosphotyrosyl-seryl-alanine;ASPTPSA;148832-06-8;Asptpsa;Alanyl-phosphoseryl-phosphotyrosyl-seryl-alanine;DTXSID50933490;N-[2-Amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]seryl-5-amino-2-(2-amino-3-hydroxypropanoyl)-4-oxo-N,3-diphosphononorleucine
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CAS No:
(2R,5S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]-phosphonoamino]-2-[(2S)-2-amino-3-hydroxypropanoyl]-4-oxo-3-phosphonohexanoic acid Basic Attributes
657.5 g/mol
657.14483936 g/mol
Computed Properties
Molecular Weight:657.5
XLogP3:-14.1
Hydrogen Bond Donor Count:12
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:16
Exact Mass:657.14483936
Monoisotopic Mass:657.14483936
Topological Polar Surface Area:375
Heavy Atom Count:43
Complexity:1150
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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