3-methyl-2-[2-[[3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]butanoyl]amino]propanoyloxy]butanoic acid
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![3-methyl-2-[2-[[3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]butanoyl]amino]propanoyloxy]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1d1096d3ad7449a78f6ef5df5bc36c73.png "3-methyl-2-[2-[[3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]butanoyl]amino]propanoyloxy]butanoic acid")
3-methyl-2-[2-[[3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]butanoyl]amino]propanoyloxy]butanoic acid
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CAS No:
144678-63-7
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Formula:
C21H36N2O9
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Chemical Name:
3-methyl-2-[2-[[3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]butanoyl]amino]propanoyloxy]butanoic acid
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Synonyms:
NSC 668036;NSC-668036;NSC668036;Boc-(Ala-Hmb)2-OH;9,15-Diisopropyl-2,2,6,12-tetramethyl-4,7,10,13-tetraoxo-3,8,14-trioxa-5,11-diazahexadecan-16-oic acid;3-methyl-2-[2-[[3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]butanoyl]amino]propanoyloxy]butanoic acid;NSC668036;NSC 668036;NSC-668036;144678-63-7;SCHEMBL1503151;CHEMBL1981925;NCI60_023728;Q33637737;(2S)-N-[(1,1-Dimethylethoxy)carbonyl]-L-alanyl-(2S)-2-hydroxy-3-methylbutanoyl-L-alanyl-2-hydroxy-3-methyl-butanoicAcid
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CAS No:
3-methyl-2-[2-[[3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]butanoyl]amino]propanoyloxy]butanoic acid Basic Attributes
460.5 g/mol
460.24208073 g/mol
668036
Computed Properties
Molecular Weight:460.5
XLogP3:3.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:14
Exact Mass:460.24208073
Monoisotopic Mass:460.24208073
Topological Polar Surface Area:157
Heavy Atom Count:32
Complexity:698
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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