Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L5CN6X
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| Ligand Name |
N-({(1s)-5-[(4-Bromobenzyl)({6-[4-(4-{4-[4-Carboxy-3-(6-Hydroxy-3-Oxo-3h-Xanthen-9-Yl)benzoyl]piperazin-1-Yl}phenyl)piperazin-1-Yl]pyridin-3-Yl}carbonyl)amino]-1-Carboxypentyl}carbamoyl)-L-Glutamic Acid
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| Synonyms |
CHEMBL3578201; N-({(1s)-5-[(4-Bromobenzyl)({6-[4-(4-{4-[4-Carboxy-3-(6-Hydroxy-3-Oxo-3h-Xanthen-9-Yl)benzoyl]piperazin-1-Yl}phenyl)piperazin-1-Yl]pyridin-3-Yl}carbonyl)amino]-1-Carboxypentyl}carbamoyl)-L-Glutamic Acid; BDBM50089452; Q27456258
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| Structure |
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Download2D MOL
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| Formula |
C60H59BrN8O14
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| Canonical SMILES |
C1CN(CCN1C2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)C(=O)O)C5=C6C=CC(=O)C=C6OC7=C5C=CC(=C7)O)C8=NC=C(C=C8)C(=O)N(CCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)CC9=CC=C(C=C9)Br
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| InChI |
1S/C60H59BrN8O14/c61-39-8-4-36(5-9-39)35-69(22-2-1-3-48(58(78)79)63-60(82)64-49(59(80)81)19-21-53(72)73)56(75)38-7-20-52(62-34-38)67-27-23-65(24-28-67)40-10-12-41(13-11-40)66-25-29-68(30-26-66)55(74)37-6-16-44(57(76)77)47(31-37)54-45-17-14-42(70)32-50(45)83-51-33-43(71)15-18-46(51)54/h4-18,20,31-34,48-49,70H,1-3,19,21-30,35H2,(H,72,73)(H,76,77)(H,78,79)(H,80,81)(H2,63,64,82)/t48-,49-/m0/s1
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| InChIKey |
HNPUHOJFAXMPAU-GTMCEHENSA-N
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| PubChem Compound ID | ||||
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