2-[[(2S)-2-[[(2R)-3-(4-hydroxyphenyl)-2-(2,4,6-trinitroanilino)propanoyl]amino]-3-methylbutanoyl]amino]acetic acid
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![2-[[(2S)-2-[[(2R)-3-(4-hydroxyphenyl)-2-(2,4,6-trinitroanilino)propanoyl]amino]-3-methylbutanoyl]amino]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ae4350b79ae74e2ea417cb113dd821c4.png "2-[[(2S)-2-[[(2R)-3-(4-hydroxyphenyl)-2-(2,4,6-trinitroanilino)propanoyl]amino]-3-methylbutanoyl]amino]acetic acid")
2-[[(2S)-2-[[(2R)-3-(4-hydroxyphenyl)-2-(2,4,6-trinitroanilino)propanoyl]amino]-3-methylbutanoyl]amino]acetic acid
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CAS No:
114043-34-4
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Formula:
C22H24N6O11
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Chemical Name:
2-[[(2S)-2-[[(2R)-3-(4-hydroxyphenyl)-2-(2,4,6-trinitroanilino)propanoyl]amino]-3-methylbutanoyl]amino]acetic acid
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Synonyms:
2,4,6-trinitrophenyl-tyrosyl-valyl-glycine;TNP-Tyr-Val-Gly;114043-34-4;Tnp-tyr-val-gly;TNPYVG;2,4,6-Trinitrophenyl-tyrosyl-valyl-glycine;DTXSID40921265;N-(1-Hydroxy-2-{[1-hydroxy-3-(4-hydroxyphenyl)-2-(2,4,6-trinitroanilino)propylidene]amino}-3-methylbutylidene)glycine
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CAS No:
2-[[(2S)-2-[[(2R)-3-(4-hydroxyphenyl)-2-(2,4,6-trinitroanilino)propanoyl]amino]-3-methylbutanoyl]amino]acetic acid Basic Attributes
548.5 g/mol
548.15030560 g/mol
Computed Properties
Molecular Weight:548.5
XLogP3:3.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:10
Exact Mass:548.15030560
Monoisotopic Mass:548.15030560
Topological Polar Surface Area:265
Heavy Atom Count:39
Complexity:899
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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