Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B8CWK7
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| Binder Name |
[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(E,2S)-5-[[(2S)-1-(Benzylamino)-1-oxopropan-2-yl]amino]-5-oxopent-3-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-dimethylazanium;2,2,2-trifluoroacetate
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| Synonyms |
CHEMBL3358138; BDBM50033672
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL
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| Formula |
C42H68F3N7O8
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| Canonical SMILES |
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)/C=C/C(=O)N[C@@H](C)C(=O)NCC1=CC=CC=C1)[NH+](C)C.C(=O)(C(F)(F)F)[O-]
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| InChI |
1S/C40H67N7O6.C2HF3O2/c1-13-27(8)35(47(11)12)40(53)45-31(21-24(2)3)37(50)44-32(22-25(4)5)38(51)46-34(26(6)7)39(52)42-28(9)19-20-33(48)43-29(10)36(49)41-23-30-17-15-14-16-18-30;3-2(4,5)1(6)7/h14-20,24-29,31-32,34-35H,13,21-23H2,1-12H3,(H,41,49)(H,42,52)(H,43,48)(H,44,50)(H,45,53)(H,46,51);(H,6,7)/b20-19+;/t27-,28-,29-,31-,32-,34-,35-;/m0./s1
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| InChIKey |
XOPSGKAXPIOCMM-KQRIYTONSA-N
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| PubChem Compound ID | ||||
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