Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L6IO7M
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| Ligand Name |
(R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid
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| Synonyms |
CHEMBL5085156; (R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid; XOY
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| Structure |
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Download2D MOL
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| Formula |
C42H40ClN3O4S
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| Canonical SMILES |
CC1=CC=C(C=C1)CN(C(=O)C2=CC3=C(CN(CC3)CC4=CC=CC=C4C5=CC=C(C=C5)Cl)C=C2)C(=O)NC(CSCC6=CC=CC=C6)C(=O)O
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| InChI |
1S/C42H40ClN3O4S/c1-29-11-13-30(14-12-29)24-46(42(50)44-39(41(48)49)28-51-27-31-7-3-2-4-8-31)40(47)34-15-16-35-25-45(22-21-33(35)23-34)26-36-9-5-6-10-38(36)32-17-19-37(43)20-18-32/h2-20,23,39H,21-22,24-28H2,1H3,(H,44,50)(H,48,49)/t39-/m0/s1
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| InChIKey |
OFVMPKFGKDQYKS-KDXMTYKHSA-N
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| PubChem Compound ID | ||||
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