Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BA49XR
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| Binder Name |
Methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-benzamidoacetyl)amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-6-pyrrolidin-1-ylhexanoyl]amino]-3-hydroxypropanoate
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| Synonyms |
CHEMBL3945426; BDBM50194249
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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 |
C41H59N7O9
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| Canonical SMILES |
C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN1CCCC1)C(=O)N[C@@H](CO)C(=O)OC)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)C3=CC=CC=C3
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| InChI |
1S/C41H59N7O9/c1-27(2)23-32(40(55)45-31(19-11-12-20-48-21-13-14-22-48)38(53)47-34(26-49)41(56)57-4)46-36(51)28(3)43-39(54)33(24-29-15-7-5-8-16-29)44-35(50)25-42-37(52)30-17-9-6-10-18-30/h5-10,15-18,27-28,31-34,49H,11-14,19-26H2,1-4H3,(H,42,52)(H,43,54)(H,44,50)(H,45,55)(H,46,51)(H,47,53)/t28-,31-,32-,33-,34-/m0/s1
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| InChIKey |
BJDMYPKFPNBDRV-KMACTHOASA-N
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| PubChem Compound ID | ||||
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