Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L5J6GS
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| Ligand Name |
4'-(((13S,4S,12S,E)-12-((2-(2-aminoethoxy)ethyl)carbamoyl)-13-benzyl-2,5,10,16,19-pentaoxo-3,6,11,15-tetraaza-1(3,1)-piperidina-8(1,2)-benzenacyclononadecaphan-17-en-4-yl)methyl)-2-methyl-[1,1'-biphenyl]-4-carboxylic acid
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| Synonyms |
SCHEMBL23512749; 4'-(((13S,4S,12S,E)-12-((2-(2-aminoethoxy)ethyl)carbamoyl)-13-benzyl-2,5,10,16,19-pentaoxo-3,6,11,15-tetraaza-1(3,1)-piperidina-8(1,2)-benzenacyclononadecaphan-17-en-4-yl)methyl)-2-methyl-[1,1'-biphenyl]-4-carboxylic acid
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| Structure |
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Download2D MOL
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| Formula |
C51H59N7O9
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| Canonical SMILES |
CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(C=C2)CC3C(=O)NCC4=CC=CC=C4CC(=O)NC(CCNC(=O)C=CC(=O)N5CCCC(C5)(C(=O)N3)CC6=CC=CC=C6)C(=O)NCCOCCN
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| InChI |
1S/C51H59N7O9/c1-34-28-39(49(64)65)16-17-41(34)37-14-12-35(13-15-37)29-43-48(63)55-32-40-11-6-5-10-38(40)30-45(60)56-42(47(62)54-24-27-67-26-22-52)20-23-53-44(59)18-19-46(61)58-25-7-21-51(33-58,50(66)57-43)31-36-8-3-2-4-9-36/h2-6,8-19,28,42-43H,7,20-27,29-33,52H2,1H3,(H,53,59)(H,54,62)(H,55,63)(H,56,60)(H,57,66)(H,64,65)/b19-18+/t42-,43-,51-/m0/s1
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| InChIKey |
FBBIPPXVNOOIKI-VIWVIYCGSA-N
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| PubChem Compound ID | ||||
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