General Information of the Compound
| Compound ID |
CP0377551
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| Compound Name |
(R)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionylamino]-5-guanidino-pentanoic acid [(S)-1-(2-carbamoyl-ethylcarbamoyl)-2-phenyl-ethyl]-amide
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| Synonyms |
CHEMBL29078
GTPL1615
Tyr-Ala-Phe-Asp-Val-Val-Gly
Tyr-D-Ala-Phe-Glu-Val-Val-Gly-NH2
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| Structure |
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| Formula |
C38H54N8O10
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| Molecular Weight |
782.896
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| Canonical SMILES |
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
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| InChI |
InChI=1S/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1
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| InChIKey |
NUNBRHVOPFWRRG-RCEFDBTISA-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
Clinical Information about the Compound