(2R,5S)-5-amino-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]-phosphonoamino]-4-oxo-3-phosphonohexanoic acid
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![(2R,5S)-5-amino-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]-phosphonoamino]-4-oxo-3-phosphonohexanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a6fd8aa03da94eedaf8efc1506ca3b7b.png "(2R,5S)-5-amino-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]-phosphonoamino]-4-oxo-3-phosphonohexanoic acid")
(2R,5S)-5-amino-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]-phosphonoamino]-4-oxo-3-phosphonohexanoic acid
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CAS No:
145079-47-6
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Formula:
C22H35N5O15P2
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Chemical Name:
(2R,5S)-5-amino-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]-phosphonoamino]-4-oxo-3-phosphonohexanoic acid
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Synonyms:
Ala-Thr(P)-Tyr(P)-Ser-Ala;alanyl-phosphothreonyl-phosphotyrosyl-seryl-alanine;ATPTPSA;Atptpsa;145079-47-6;DTXSID90932487;Alanyl-phosphothreonyl-phosphotyrosyl-seryl-alanine;4-Amino-2-[{N-[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]seryl}(phosphono)amino]-2-(3-amino-2-oxo-1-phosphonobutyl)-2,4,6-trideoxyhex-3-ulosonic acid
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CAS No:
(2R,5S)-5-amino-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]-phosphonoamino]-4-oxo-3-phosphonohexanoic acid Basic Attributes
671.5 g/mol
671.16048942 g/mol
Computed Properties
Molecular Weight:671.5
XLogP3:-13.6
Hydrogen Bond Donor Count:12
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:16
Exact Mass:671.16048942
Monoisotopic Mass:671.16048942
Topological Polar Surface Area:375
Heavy Atom Count:44
Complexity:1190
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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