Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LGUW65
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| Ligand Name |
(4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-4-[([1,1'-biphenyl]-4-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide
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| Synonyms |
(4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-4-[([1,1'-biphenyl]-4-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide; SCHEMBL23512388; (13S,4S,12S,E)-4-([1,1'-biphenyl]-4-ylmethyl)-N-(2-(2-aminoethoxy)ethyl)-13-benzyl-2,5,10,16,19-pentaoxo-3,6,11,15-tetraaza-1(3,1)-piperidina-8(1,2)-benzenacyclononadecaphan-17-ene-12-carboxamide; I3X
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| Structure |
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Download2D MOL
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| Formula |
C49H57N7O7
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| Canonical SMILES |
C1CC2(CN(C1)C(=O)C=CC(=O)NCCC(NC(=O)CC3=CC=CC=C3CNC(=O)C(NC2=O)CC4=CC=C(C=C4)C5=CC=CC=C5)C(=O)NCCOCCN)CC6=CC=CC=C6
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| InChI |
1S/C49H57N7O7/c50-24-28-63-29-26-52-46(60)41-22-25-51-43(57)20-21-45(59)56-27-9-23-49(34-56,32-36-10-3-1-4-11-36)48(62)55-42(30-35-16-18-38(19-17-35)37-12-5-2-6-13-37)47(61)53-33-40-15-8-7-14-39(40)31-44(58)54-41/h1-8,10-21,41-42H,9,22-34,50H2,(H,51,57)(H,52,60)(H,53,61)(H,54,58)(H,55,62)/b21-20+/t41-,42-,49-/m0/s1
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| InChIKey |
IVPJOZJMDMPIBO-RSRLQWHCSA-N
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| PubChem Compound ID | ||||
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