General Information of the Compound
| Compound ID |
CP0432007
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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]pentanoic acid
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| Structure |
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| Formula |
C41H55N7O9
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| Molecular Weight |
789.931
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| Canonical SMILES |
CCC[C@@H](CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C41H55N7O9/c1-4-10-28(40(54)55)22-43-31(19-27-14-16-30(49)17-15-27)36(50)47-35(25(3)5-2)38(52)45-32(21-29-23-42-24-44-29)39(53)48-18-9-13-34(48)37(51)46-33(41(56)57)20-26-11-7-6-8-12-26/h6-8,11-12,14-17,23-25,28,31-35,43,49H,4-5,9-10,13,18-22H2,1-3H3,(H,42,44)(H,45,52)(H,46,51)(H,47,50)(H,54,55)(H,56,57)/t25-,28-,31-,32-,33-,34-,35-/m0/s1
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| InChIKey |
IITMMSBFCWYUDQ-AHFGPNKOSA-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