General Information of the Compound
| Compound ID |
CP0435068
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| Compound Name |
(2S)-2-[[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-carboxy-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]methyl]-4-methylpentanoic acid
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| Structure |
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| Formula |
C43H59N7O9
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| Molecular Weight |
817.985
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC[C@H](CC(C)C)C(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(O)=O)Cc1ccccc1
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| InChI |
InChI=1S/C43H59N7O9/c1-5-27(4)38(49-39(54)34(20-29-13-15-33(51)16-14-29)45-23-30(43(58)59)18-26(2)3)41(56)48-35(21-32-24-44-25-46-32)42(57)50-17-9-12-36(50)40(55)47-31(22-37(52)53)19-28-10-7-6-8-11-28/h6-8,10-11,13-16,24-27,30-31,34-36,38,45,51H,5,9,12,17-23H2,1-4H3,(H,44,46)(H,47,55)(H,48,56)(H,49,54)(H,52,53)(H,58,59)/t27-,30-,31-,34-,35-,36-,38-/m0/s1
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| InChIKey |
RFUHKNDCMIJDQD-ZWHHYXARSA-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