Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L1BQM5
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| Ligand Name |
N-[(1S)-1-benzyl-2-{[(1S)-2-(isobutylamino)-1-methyl-2-oxoethyl]amino}ethyl]-N'-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide
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| Synonyms |
N-[(1S)-1-benzyl-2-{[(1S)-2-(isobutylamino)-1-methyl-2-oxoethyl]amino}ethyl]-N'-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide; CHEMBL379513; SCHEMBL14357016; BDBM16692; psi[CH2NH] reduced amide isostere, 4b; Q27461591; 1-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)-3-N-[(2S)-1-{[(1S)-1-[(2-methylpropyl)carbamoyl]ethyl]amino}-3-phenylpropan-2-yl]benzene-1,3-dicarboxamide; IXS
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| Structure |
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Download2D MOL
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| Formula |
C34H44FN5O5S
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| Canonical SMILES |
CC(C)CNC(=O)C(C)NCC(CC1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)C(=O)NC(C)C3=CC=C(C=C3)F)N(C)S(=O)(=O)C
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| InChI |
1S/C34H44FN5O5S/c1-22(2)20-37-32(41)24(4)36-21-30(16-25-10-8-7-9-11-25)39-34(43)28-17-27(18-31(19-28)40(5)46(6,44)45)33(42)38-23(3)26-12-14-29(35)15-13-26/h7-15,17-19,22-24,30,36H,16,20-21H2,1-6H3,(H,37,41)(H,38,42)(H,39,43)/t23-,24+,30+/m1/s1
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| InChIKey |
FZTXBRKPIRTQCY-QEGDFHJFSA-N
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| PubChem Compound ID | ||||
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