General Information of the Compound
| Compound ID |
CP0413515
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| Compound Name |
methyl (2S,3R)-2-[[4-amino-3-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]benzoyl]amino]-3-hydroxybutanoate
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| Structure |
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| Formula |
C21H26N4O6
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| Molecular Weight |
430.461
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| Canonical SMILES |
COC(=O)[C@@H](NC(=O)c1ccc(N)c(NC(=O)[C@@H](N)Cc2ccc(O)cc2)c1)[C@@H](C)O
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| InChI |
InChI=1S/C21H26N4O6/c1-11(26)18(21(30)31-2)25-19(28)13-5-8-15(22)17(10-13)24-20(29)16(23)9-12-3-6-14(27)7-4-12/h3-8,10-11,16,18,26-27H,9,22-23H2,1-2H3,(H,24,29)(H,25,28)/t11-,16+,18+/m1/s1
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| InChIKey |
GOUYQAPKPTXGQY-VOZBZGINSA-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