General Information of the Compound
| Compound ID |
CP0568254
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| Compound Name |
(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-phenylpentanoyl]amino]-4-methylpentanoic acid
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| Structure |
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| Formula |
C17H26N2O4
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| Molecular Weight |
322.405
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CCc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C17H26N2O4/c1-11(2)10-14(17(22)23)19-16(21)15(20)13(18)9-8-12-6-4-3-5-7-12/h3-7,11,13-15,20H,8-10,18H2,1-2H3,(H,19,21)(H,22,23)/t13-,14+,15+/m1/s1
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| InChIKey |
WINMLZWYPTWRES-ILXRZTDVSA-N
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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: PT04212, Endoplasmic reticulum aminopeptidase 1
Protein ID: PT01964, Endoplasmic reticulum aminopeptidase 2
Protein ID: PT05005, Interleukin-1 receptor antagonist protein