General Information of the Compound
| Compound ID |
CP0379588
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| Compound Name |
benzyl (2S)-2-[[4-amino-3-[[(2S)-2-amino-4-phenylbutanoyl]amino]benzoyl]amino]-3-methylbutanoate
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| Structure |
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| Formula |
C29H34N4O4
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| Molecular Weight |
502.615
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| Canonical SMILES |
CC(C)[C@H](NC(=O)c1ccc(N)c(NC(=O)[C@@H](N)CCc2ccccc2)c1)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C29H34N4O4/c1-19(2)26(29(36)37-18-21-11-7-4-8-12-21)33-27(34)22-14-16-23(30)25(17-22)32-28(35)24(31)15-13-20-9-5-3-6-10-20/h3-12,14,16-17,19,24,26H,13,15,18,30-31H2,1-2H3,(H,32,35)(H,33,34)/t24-,26-/m0/s1
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| InChIKey |
UKJHTSLJHWRDGS-AHWVRZQESA-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: PT05116, Leucyl-cystinyl aminopeptidase