Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L2QMV1
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| Ligand Name |
(2s)-2-{[2-({[(2r,3r,4r,5s,6r)-3-(Acetylamino)-4,5-Dihydroxy-6-(Hydroxymethyl)tetrahydro-2h-Pyran-2-Yl]carbamothioyl}amino)ethyl](Biphenyl-4-Ylsulfonyl)amino}-3-Methylbutanoic Acid (Non-Preferred Name)
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| Synonyms |
(2s)-2-{[2-({[(2r,3r,4r,5s,6r)-3-(Acetylamino)-4,5-Dihydroxy-6-(Hydroxymethyl)tetrahydro-2h-Pyran-2-Yl]carbamothioyl}amino)ethyl](Biphenyl-4-Ylsulfonyl)amino}-3-Methylbutanoic Acid (Non-Preferred Name); Q27456245; 67F
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| Structure |
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Download2D MOL |
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| Formula |
C28H38N4O9S2
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| Canonical SMILES |
CC(C)C(C(=O)O)N(CCNC(=S)NC1C(C(C(C(O1)CO)O)O)NC(=O)C)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3
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| InChI |
1S/C28H38N4O9S2/c1-16(2)23(27(37)38)32(43(39,40)20-11-9-19(10-12-20)18-7-5-4-6-8-18)14-13-29-28(42)31-26-22(30-17(3)34)25(36)24(35)21(15-33)41-26/h4-12,16,21-26,33,35-36H,13-15H2,1-3H3,(H,30,34)(H,37,38)(H2,29,31,42)/t21-,22-,23+,24-,25-,26-/m1/s1
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| InChIKey |
NZFBENDBEOZJMI-DIVFVBEMSA-N
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| PubChem Compound ID | ||||
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