Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LMJ67R
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| Ligand Name |
Tert-butyl 4-[({[1-((1S,2R)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl)-1H-1,2,3-triazol-4-YL]methyl}amino)carbonyl]benzylcarbamate
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| Synonyms |
TERT-BUTYL 4-[({[1-((1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL)-1H-1,2,3-TRIAZOL-4-YL]METHYL}AMINO)CARBONYL]BENZYLCARBAMATE; 1zpa; A83; BDBM84461; HIV-1 PR Inhibitor, compound 8; Q27457150
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| Structure |
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Download2D MOL
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| Formula |
C37H48N6O7S
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| Canonical SMILES |
CC(C)CN(CC(C(CC1=CC=CC=C1)N2C=C(N=N2)CNC(=O)C3=CC=C(C=C3)CNC(=O)OC(C)(C)C)O)S(=O)(=O)C4=CC=C(C=C4)OC
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| InChI |
1S/C37H48N6O7S/c1-26(2)23-42(51(47,48)32-18-16-31(49-6)17-19-32)25-34(44)33(20-27-10-8-7-9-11-27)43-24-30(40-41-43)22-38-35(45)29-14-12-28(13-15-29)21-39-36(46)50-37(3,4)5/h7-19,24,26,33-34,44H,20-23,25H2,1-6H3,(H,38,45)(H,39,46)/t33-,34+/m0/s1
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| InChIKey |
XWYIBXKLXLXYMK-SZAHLOSFSA-N
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| PubChem Compound ID | ||||
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