Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BP76DM
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| Binder Name |
(2S)-2-[[(2R)-2-[[(2S)-2-[Acetyl-[(E)-3-phenylprop-2-enoyl]amino]-3-(4-fluorophenyl)propanoyl]amino]-4-[bis(dimethylamino)methylideneamino]butanoyl]amino]-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide
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| Synonyms |
CHEMBL3143279
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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 |
C41H60FN11O6
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| Canonical SMILES |
CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@@H](CCN=C(N(C)C)N(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)F)N(C(=O)C)C(=O)/C=C/C2=CC=CC=C2
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| InChI |
1S/C41H60FN11O6/c1-26(2)24-33(38(58)48-31(36(43)56)14-11-22-46-40(44)45)50-37(57)32(21-23-47-41(51(4)5)52(6)7)49-39(59)34(25-29-15-18-30(42)19-16-29)53(27(3)54)35(55)20-17-28-12-9-8-10-13-28/h8-10,12-13,15-20,26,31-34H,11,14,21-25H2,1-7H3,(H2,43,56)(H,48,58)(H,49,59)(H,50,57)(H4,44,45,46)/b20-17+/t31-,32+,33-,34-/m0/s1
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| InChIKey |
RGFWEOSQJIZMDM-RKBVIKNSSA-N
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| PubChem Compound ID | ||||
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