General Information of the Compound
| Compound ID |
CP0500624
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| Compound Name |
(2S)-2-[[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(1S)-1-carboxy-2-phenylethyl]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 |
C42H57N7O9
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| Molecular Weight |
803.958
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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](Cc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C42H57N7O9/c1-5-26(4)36(48-37(51)32(19-28-13-15-31(50)16-14-28)44-22-29(41(55)56)18-25(2)3)39(53)46-33(21-30-23-43-24-45-30)40(54)49-17-9-12-35(49)38(52)47-34(42(57)58)20-27-10-7-6-8-11-27/h6-8,10-11,13-16,23-26,29,32-36,44,50H,5,9,12,17-22H2,1-4H3,(H,43,45)(H,46,53)(H,47,52)(H,48,51)(H,55,56)(H,57,58)/t26-,29-,32-,33-,34-,35-,36-/m0/s1
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| InChIKey |
GCFLCRJGOHZHEC-WRRKRXPISA-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