Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LK0WC1
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| Ligand Name |
(3R,3aS,4R,6aS)-4-chlorohexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
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| Synonyms |
(3R,3aS,4R,6aS)-4-chlorohexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate; CHEMBL3426615; Q27458690; C7U
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| Structure |
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Download2D MOL |
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| Formula |
C29H37ClN4O8S
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| Canonical SMILES |
CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2C(CO3)Cl)O)S(=O)(=O)C4=CC5=C(C=C4)N=C(O5)NC
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| InChI |
1S/C29H37ClN4O8S/c1-17(2)13-34(43(37,38)19-9-10-21-24(12-19)41-28(31-3)32-21)14-23(35)22(11-18-7-5-4-6-8-18)33-29(36)42-25-16-40-27-26(25)20(30)15-39-27/h4-10,12,17,20,22-23,25-27,35H,11,13-16H2,1-3H3,(H,31,32)(H,33,36)/t20-,22-,23+,25-,26-,27+/m0/s1
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| InChIKey |
NMOHOBUCXYUGEV-UUVBTYKWSA-N
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| PubChem Compound ID | ||||
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