Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LB1ZM5
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| Ligand Name |
(1R)-2-{[Amino(imino)methyl]amino}-1-{4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-YL]phenyl}ethyl nicotinate
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| Synonyms |
(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE; DB07023; Q27095937; (1R)-2-[(Diaminomethylene)amino]-1-{4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl}ethyl nicotinate
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| Structure |
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Download2D MOL
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| Formula |
C18H21BN4O5
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| Canonical SMILES |
B1(OCC(O1)CO)C2=CC=C(C=C2)C(CN=C(N)N)OC(=O)C3=CN=CC=C3
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| InChI |
1S/C18H21BN4O5/c20-18(21)23-9-16(27-17(25)13-2-1-7-22-8-13)12-3-5-14(6-4-12)19-26-11-15(10-24)28-19/h1-8,15-16,24H,9-11H2,(H4,20,21,23)/t15-,16+/m1/s1
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| InChIKey |
HGLWHYRZHMOCMC-CVEARBPZSA-N
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| PubChem Compound ID | ||||
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