Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L0PM2F
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| Ligand Name |
(4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-4-[(3-methylphenyl)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-[(3-methylphenyl)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; SCHEMBL23512389; (13S,4S,12S,E)-N-(2-(2-aminoethoxy)ethyl)-13-benzyl-4-(3-methylbenzyl)-2,5,10,16,19-pentaoxo-3,6,11,15-tetraaza-1(3,1)-piperidina-8(1,2)-benzenacyclononadecaphan-17-ene-12-carboxamide; I5J
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| Structure |
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Download2D MOL
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| Formula |
C44H55N7O7
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| Canonical SMILES |
CC1=CC(=CC=C1)CC2C(=O)NCC3=CC=CC=C3CC(=O)NC(CCNC(=O)C=CC(=O)N4CCCC(C4)(C(=O)N2)CC5=CC=CC=C5)C(=O)NCCOCCN
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| InChI |
1S/C44H55N7O7/c1-31-9-7-12-33(25-31)26-37-42(56)48-29-35-14-6-5-13-34(35)27-39(53)49-36(41(55)47-21-24-58-23-19-45)17-20-46-38(52)15-16-40(54)51-22-8-18-44(30-51,43(57)50-37)28-32-10-3-2-4-11-32/h2-7,9-16,25,36-37H,8,17-24,26-30,45H2,1H3,(H,46,52)(H,47,55)(H,48,56)(H,49,53)(H,50,57)/b16-15+/t36-,37-,44-/m0/s1
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| InChIKey |
NBKOHEQKNLWGFV-UOUKTGDDSA-N
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| PubChem Compound ID | ||||
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