Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LBC58A
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| Ligand Name |
N-{(3r,6s,9s,12r)-6-Ethyl-12-Methyl-9-[3-(N'-Methylcarbamimidamido)propyl]-2,5,8,11-Tetraoxo-3-Phenyl-1,4,7,10-Tetraazacyclotetradecan-12-Yl}-2-Methylpropanamide
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| Synonyms |
MM-589; 2097887-20-0; N-{(3r,6s,9s,12r)-6-Ethyl-12-Methyl-9-[3-(N'-Methylcarbamimidamido)propyl]-2,5,8,11-Tetraoxo-3-Phenyl-1,4,7,10-Tetraazacyclotetradecan-12-Yl}-2-Methylpropanamide; N-[(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-[(N'-methylcarbamimidoyl)amino]propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetrazacyclotetradec-12-yl]-2-methylpropanamide; CHEMBL4116919; SCHEMBL23295831; HY-100869; CS-0020536; 9BA
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| Structure |
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Download2D MOL |
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| Formula |
C28H44N8O5
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| Canonical SMILES |
CCC1C(=O)NC(C(=O)NCCC(C(=O)NC(C(=O)N1)CCCNC(=NC)N)(C)NC(=O)C(C)C)C2=CC=CC=C2
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| InChI |
1S/C28H44N8O5/c1-6-19-23(38)35-21(18-11-8-7-9-12-18)25(40)31-16-14-28(4,36-22(37)17(2)3)26(41)34-20(24(39)33-19)13-10-15-32-27(29)30-5/h7-9,11-12,17,19-21H,6,10,13-16H2,1-5H3,(H,31,40)(H,33,39)(H,34,41)(H,35,38)(H,36,37)(H3,29,30,32)/t19-,20-,21+,28+/m0/s1
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| InChIKey |
ZAIPJVQTYUSDTG-LDFBIXNTSA-N
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| PubChem Compound ID | ||||
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