Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L6AV5H
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| Ligand Name |
Methyl {3-[(2r)-1-{(2r)-2-(3,4-Dimethoxyphenyl)-2-[(1-Oxo-1,2,3,4-Tetrahydroisoquinolin-7-Yl)amino]acetyl}pyrrolidin-2-Yl]-4-(Propan-2-Ylsulfonyl)phenyl}carbamate
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| Synonyms |
CHEMBL3940570; Methyl {3-[(2r)-1-{(2r)-2-(3,4-Dimethoxyphenyl)-2-[(1-Oxo-1,2,3,4-Tetrahydroisoquinolin-7-Yl)amino]acetyl}pyrrolidin-2-Yl]-4-(Propan-2-Ylsulfonyl)phenyl}carbamate; SCHEMBL2530506; BDBM50201420; Q27454275; 3Z9
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| Structure |
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Download2D MOL |
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| Formula |
C34H40N4O8S
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| Canonical SMILES |
CC(C)S(=O)(=O)C1=C(C=C(C=C1)NC(=O)OC)C2CCCN2C(=O)C(C3=CC(=C(C=C3)OC)OC)NC4=CC5=C(CCNC5=O)C=C4
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| InChI |
1S/C34H40N4O8S/c1-20(2)47(42,43)30-13-11-24(37-34(41)46-5)19-26(30)27-7-6-16-38(27)33(40)31(22-9-12-28(44-3)29(17-22)45-4)36-23-10-8-21-14-15-35-32(39)25(21)18-23/h8-13,17-20,27,31,36H,6-7,14-16H2,1-5H3,(H,35,39)(H,37,41)/t27-,31-/m1/s1
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| InChIKey |
XGQHTIIEXCNFSG-DLFZDVPBSA-N
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| PubChem Compound ID | ||||
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