General Information of the Compound
| Compound ID |
CP0037780
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| Compound Name |
(2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido]-4-methylpentanoic acid
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| Synonyms |
((2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl)-D-leucine
(2R)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenyl-butanoyl]amino]-4-methyl-pentanoic acid
(2R)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid
AC1L972Z
AKOS026750073
BDBM50010142
Bestatin
Bestatin (TN)
C00732
CHEBI:140702
CHEBI:3070
CHEMBL476869
D00087
DTXSID4048430
GTPL5151
NCGC00161660-01
SCHEMBL25971
SureCN25971
UPCMLD-DP116
UPCMLD-DP116:001
Ubenimex (JP16/INN)
Ubenimex (JP17/INN)
ZINC01532730
ZINC1532730
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| Structure |
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| Formula |
C16H24N2O4
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| Molecular Weight |
308.378
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1
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| InChIKey |
VGGGPCQERPFHOB-RDBSUJKOSA-N
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| CAS |
58970-76-6
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01820, Aminopeptidase N
Protein ID: PT04212, Endoplasmic reticulum aminopeptidase 1
Protein ID: PT01964, Endoplasmic reticulum aminopeptidase 2
Protein ID: PT05005, Interleukin-1 receptor antagonist protein
Protein ID: PT06345, Solute carrier family 15 member 2
Cell Viability or Cytotoxicity Assay
Clinical Information about the Compound