General Information of the Compound
| Compound ID |
CP0868847
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| Compound Name |
(S)-N-((S)-1-((S)-1-((S)-1-((S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-ylamino)-3-methyl-1-oxobutan-2-yl)-5-guanidino-2-(2-(methylamino)acetamido)pentanamide
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| Structure |
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| Formula |
C34H54N12O7
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| Molecular Weight |
742.883
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| Canonical SMILES |
CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)C(C)C)C(C)C
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| InChI |
InChI=1S/C34H54N12O7/c1-18(2)27(32(52)43-24(29(35)49)14-21-15-39-17-41-21)46-31(51)25(13-20-8-10-22(47)11-9-20)44-33(53)28(19(3)4)45-30(50)23(42-26(48)16-38-5)7-6-12-40-34(36)37/h8-11,15,17-19,23-25,27-28,38,47H,6-7,12-14,16H2,1-5H3,(H2,35,49)(H,39,41)(H,42,48)(H,43,52)(H,44,53)(H,45,50)(H,46,51)(H4,36,37,40)/t23-,24-,25-,27-,28-/m0/s1
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| InChIKey |
JZYGWEQFALQYNB-OQWKOXFXSA-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: PT01197, Type-1 angiotensin II receptor
Protein ID: PT04214, Type-1 angiotensin II receptor A