Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LGE5Q6
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| Ligand Name |
(2~{S})-2-[[(2~{S})-6-[2-[(6-fluoranylpyridin-3-yl)carbonylamino]ethyl-phenyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid
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| Synonyms |
CHEMBL4280968; (2~{S})-2-[[(2~{S})-6-[2-[(6-fluoranylpyridin-3-yl)carbonylamino]ethyl-phenyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid; BDBM50468167
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| Structure |
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Download2D MOL
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| Formula |
C26H30FN5O9
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| Canonical SMILES |
C1=CC=C(C=C1)N(CCNC(=O)C2=CN=C(C=C2)F)C(=O)CCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O
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| InChI |
1S/C26H30FN5O9/c27-20-11-9-16(15-29-20)23(36)28-13-14-32(17-5-2-1-3-6-17)21(33)8-4-7-18(24(37)38)30-26(41)31-19(25(39)40)10-12-22(34)35/h1-3,5-6,9,11,15,18-19H,4,7-8,10,12-14H2,(H,28,36)(H,34,35)(H,37,38)(H,39,40)(H2,30,31,41)/t18-,19-/m0/s1
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| InChIKey |
AFDHXMJDHQVEHD-OALUTQOASA-N
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| PubChem Compound ID | ||||
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