Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L86KTS
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| Ligand Name |
(4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-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,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-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; SCHEMBL23512444; (13S,4S,12S,E)-N-(2-(2-aminoethoxy)ethyl)-13-benzyl-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; I4F
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| Structure |
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Download2D MOL
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| Formula |
C41H51N7O8
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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=CO4)C(=O)NCCOCCN)CC5=CC=CC=C5
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| InChI |
1S/C41H51N7O8/c42-17-22-55-23-19-44-38(52)33-15-18-43-35(49)13-14-37(51)48-20-7-16-41(28-48,26-29-8-2-1-3-9-29)40(54)47-34(25-32-12-6-21-56-32)39(53)45-27-31-11-5-4-10-30(31)24-36(50)46-33/h1-6,8-14,21,33-34H,7,15-20,22-28,42H2,(H,43,49)(H,44,52)(H,45,53)(H,46,50)(H,47,54)/b14-13+/t33-,34-,41-/m0/s1
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| InChIKey |
QZFQHBLXTBTKQV-YEFDEOQJSA-N
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| PubChem Compound ID | ||||
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