Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L5MD6E
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| Ligand Name |
N~2~-{[1-(4-Chlorophenyl)-5-Methyl-1h-1,2,4-Triazol-3-Yl]carbonyl}-N~5~-(Diaminomethylidene)-L-Ornithyl-L-Leucyl-L-Isoleucyl-4-Fluoro-L-Phenylalaninamide
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| Synonyms |
N~2~-{[1-(4-Chlorophenyl)-5-Methyl-1h-1,2,4-Triazol-3-Yl]carbonyl}-N~5~-(Diaminomethylidene)-L-Ornithyl-L-Leucyl-L-Isoleucyl-4-Fluoro-L-Phenylalaninamide; Q27458629; C35
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| Structure |
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Download2D MOL
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| Formula |
C37H51ClFN11O5
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| Canonical SMILES |
CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)F)C(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C2=NN(C(=N2)C)C3=CC=C(C=C3)Cl
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| InChI |
1S/C37H51ClFN11O5/c1-6-21(4)30(35(54)46-28(31(40)51)19-23-9-13-25(39)14-10-23)48-34(53)29(18-20(2)3)47-33(52)27(8-7-17-43-37(41)42)45-36(55)32-44-22(5)50(49-32)26-15-11-24(38)12-16-26/h9-16,20-21,27-30H,6-8,17-19H2,1-5H3,(H2,40,51)(H,45,55)(H,46,54)(H,47,52)(H,48,53)(H4,41,42,43)/t21-,27-,28-,29-,30-/m0/s1
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| InChIKey |
KPJZLROHGAJEAN-WRTIUAHLSA-N
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| PubChem Compound ID | ||||
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