Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L9QB3T
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| Ligand Name |
(4S,7R,11S,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-4-[(furan-2-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,7R,11S,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-4-[(furan-2-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; Macrocyclic Inhibitor JOMBt; SCHEMBL23512410; (13R,4S,12S,E)-N-(2-(2-aminoethoxy)ethyl)-4-(furan-2-ylmethyl)-2,5,10,16,19-pentaoxo-3,6,11,15-tetraaza-1(3,1)-piperidina-8(1,2)-benzenacyclononadecaphan-17-ene-12-carboxamide; I3Q
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| Structure |
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Download2D MOL |
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| Formula |
C34H45N7O8
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| Canonical SMILES |
C1CC2CN(C1)C(=O)C=CC(=O)NCCC(NC(=O)CC3=CC=CC=C3CNC(=O)C(NC2=O)CC4=CC=CO4)C(=O)NCCOCCN
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| InChI |
1S/C34H45N7O8/c35-12-17-48-18-14-37-33(46)27-11-13-36-29(42)9-10-31(44)41-15-3-7-25(22-41)32(45)40-28(20-26-8-4-16-49-26)34(47)38-21-24-6-2-1-5-23(24)19-30(43)39-27/h1-2,4-6,8-10,16,25,27-28H,3,7,11-15,17-22,35H2,(H,36,42)(H,37,46)(H,38,47)(H,39,43)(H,40,45)/b10-9+/t25-,27+,28+/m1/s1
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| InChIKey |
VANFPLOBYMMNKK-UHXQFLPPSA-N
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| PubChem Compound ID | ||||
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