Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BQR4J7
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| Binder Name |
3-[(2S,5S,8S,11S,14S,17S,20S,23S)-5,11,17,23-Tetrabenzyl-14-(2-carboxyethyl)-8,20-bis[3-(diaminomethylideneamino)propyl]-3,6,9,12,15,18,21,24-octaoxo-1,4,7,10,13,16,19,22-octazacyclotetracos-2-yl]propanoic acid
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| Synonyms |
CHEMBL2382022
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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 |
C58H74N14O12
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| Canonical SMILES |
C1=CC=C(C=C1)C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CCCN=C(N)N)CC3=CC=CC=C3)CCC(=O)O)CC4=CC=CC=C4)CCCN=C(N)N)CC5=CC=CC=C5)CCC(=O)O
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| InChI |
1S/C58H74N14O12/c59-57(60)63-29-13-23-39-49(77)69-46(34-38-21-11-4-12-22-38)56(84)68-42(26-28-48(75)76)52(80)72-44(32-36-17-7-2-8-18-36)54(82)66-40(24-14-30-64-58(61)62)50(78)70-45(33-37-19-9-3-10-20-37)55(83)67-41(25-27-47(73)74)51(79)71-43(53(81)65-39)31-35-15-5-1-6-16-35/h1-12,15-22,39-46H,13-14,23-34H2,(H,65,81)(H,66,82)(H,67,83)(H,68,84)(H,69,77)(H,70,78)(H,71,79)(H,72,80)(H,73,74)(H,75,76)(H4,59,60,63)(H4,61,62,64)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
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| InChIKey |
IJGUEPTURPDWDS-QVWIHFFISA-N
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| PubChem Compound ID | ||||
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