General Information of the Compound
| Compound ID |
CP0520133
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| Compound Name |
(S)-2-Ethyl-4-(S)-hydroxy-5-[(S)-2-((S)-2-hydroxy-3-methyl-butyrylamino)-propionylamino]-6-phenyl-hexanoic acid [(S)-2-methyl-1-((R)-1-phenyl-ethylcarbamoyl)-propyl]-amide
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| Structure |
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| Formula |
C35H52N4O6
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| Molecular Weight |
624.823
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| Canonical SMILES |
CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](O)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)c1ccccc1
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| InChI |
InChI=1S/C35H52N4O6/c1-8-26(33(43)39-30(21(2)3)34(44)36-23(6)27-17-13-10-14-18-27)20-29(40)28(19-25-15-11-9-12-16-25)38-32(42)24(7)37-35(45)31(41)22(4)5/h9-18,21-24,26,28-31,40-41H,8,19-20H2,1-7H3,(H,36,44)(H,37,45)(H,38,42)(H,39,43)/t23-,24+,26-,28+,29+,30+,31+/m1/s1
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| InChIKey |
DUKKUIJHICDQFE-PFQAIIIJSA-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