General Information of the Compound
| Compound ID |
CP0390339
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| Compound Name |
(2S)-2-[[(2S)-1-[(6S)-5-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carbonyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
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| Structure |
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| Formula |
C41H54N8O8
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| Molecular Weight |
786.931
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C41H54N8O8/c1-5-24(4)35(47-36(51)29(45-38(53)34(42)23(2)3)18-26-13-15-27(50)16-14-26)40(55)49-21-31-28(43-22-44-31)20-33(49)39(54)48-17-9-12-32(48)37(52)46-30(41(56)57)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,22-24,29-30,32-35,50H,5,9,12,17-21,42H2,1-4H3,(H,43,44)(H,45,53)(H,46,52)(H,47,51)(H,56,57)/t24-,29-,30-,32-,33-,34-,35-/m0/s1
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| InChIKey |
PDPLYQGIOLHNRW-LEEJNGLHSA-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: PT01820, Aminopeptidase N
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase