Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L9PRB3
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| Ligand Name |
1-(((2R,3S,6R)-3-hydroxy-2,3,4,6-tetrahydro-1H-2,6-methanobenzo[c][1,5]oxazocin-8-yl)methyl)-3-(2-((R)-2-(2-(methylthio)phenyl)pyrrolidin-1-yl)-2-oxoethyl)urea
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| Synonyms |
CHEMBL4470490; 1-(((2R,3S,6R)-3-hydroxy-2,3,4,6-tetrahydro-1H-2,6-methanobenzo[c][1,5]oxazocin-8-yl)methyl)-3-(2-((R)-2-(2-(methylthio)phenyl)pyrrolidin-1-yl)-2-oxoethyl)urea; SCHEMBL19410060; BDBM50516083; JV2
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| Structure |
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Download2D MOL |
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| Formula |
C26H32N4O4S
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| Canonical SMILES |
CSC1=CC=CC=C1C2CCCN2C(=O)CNC(=O)NCC3=CC4=C(C=C3)NC5CC4OCC5O
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| InChI |
1S/C26H32N4O4S/c1-35-24-7-3-2-5-17(24)21-6-4-10-30(21)25(32)14-28-26(33)27-13-16-8-9-19-18(11-16)23-12-20(29-19)22(31)15-34-23/h2-3,5,7-9,11,20-23,29,31H,4,6,10,12-15H2,1H3,(H2,27,28,33)/t20-,21-,22-,23-/m1/s1
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| InChIKey |
BICVGZIZTMOLHN-SSGKUCQKSA-N
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| PubChem Compound ID | ||||
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