Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B8JZ0B
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| Binder Name |
2-{4-[(S)-2-[(S)-4-Benzyloxycarbonyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-butyrylamino]-2-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)-ethyl]-phenoxy}-malonic acid
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| Synonyms |
CHEMBL87399; BDBM50131094
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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 |
C45H48N4O12
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| Canonical SMILES |
CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=C(C=C1)OC(C(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)OCC2=CC=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
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| InChI |
1S/C45H48N4O12/c1-26(2)22-36(40(46)51)47-42(53)37(23-27-16-18-29(19-17-27)61-39(43(54)55)44(56)57)48-41(52)35(20-21-38(50)59-24-28-10-4-3-5-11-28)49-45(58)60-25-34-32-14-8-6-12-30(32)31-13-7-9-15-33(31)34/h3-19,26,34-37,39H,20-25H2,1-2H3,(H2,46,51)(H,47,53)(H,48,52)(H,49,58)(H,54,55)(H,56,57)/t35-,36-,37-/m0/s1
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| InChIKey |
FXZUSKXTTFAWJL-FSEITFBQSA-N
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| PubChem Compound ID | ||||
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