[3-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-benzyl-3-oxopropyl]-(1-benzamido-2-phenylethyl)phosphinic acid
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![[3-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-benzyl-3-oxopropyl]-(1-benzamido-2-phenylethyl)phosphinic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8851ad5cdb984d00bb976f3eba4d6a88.png "[3-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-benzyl-3-oxopropyl]-(1-benzamido-2-phenylethyl)phosphinic acid")
[3-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-benzyl-3-oxopropyl]-(1-benzamido-2-phenylethyl)phosphinic acid
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CAS No:
129318-24-7
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Formula:
C35H45N4O6P
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Chemical Name:
[3-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-benzyl-3-oxopropyl]-(1-benzamido-2-phenylethyl)phosphinic acid
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Synonyms:
PhCONHEt(Ph)P(O)(OH)PheValValNH2;129318-24-7;BenzoylaminodecarboxyPhe-phosphinicodiyl-deaminoPhe-Val-Valineamide;L-Valinamide, N-(2-(((1-(benzoylamino)-2-phenylethyl)hydroxyphosphinyl)methyl)-1-oxo-3-phenylpropyl)-L-valyl-;L-Valinamide, N-[2-[[[1-(benzoylamino)-2-phenylethyl]hydroxyphosphinyl]methyl]-1-oxo-3-phenylpropyl]-L-valyl-;DTXSID20926379;(1-benzamido-2-phenyl-ethyl)-[2-benzyl-3-[[(1S)-1-[[(1S)-1-carbamoyl-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-3-oxo-propyl]phosphinic acid;3,6-Dibenzyl-1,4,7,10-tetrahydroxy-4-oxo-1-phenyl-9,12-di(propan-2-yl)-2,8,11-triaza-4lambda~5~-phosphatrideca-1,7,10-trien-13-imidic acid
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CAS No:
[3-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-benzyl-3-oxopropyl]-(1-benzamido-2-phenylethyl)phosphinic acid Basic Attributes
648.7 g/mol
648.30767217 g/mol
Computed Properties
Molecular Weight:648.7
XLogP3:4.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:16
Exact Mass:648.30767217
Monoisotopic Mass:648.30767217
Topological Polar Surface Area:168
Heavy Atom Count:46
Complexity:1050
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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