5-(6-fluoranylpyridin-3-yl)-N3-methyl-N1-[(2S,3R)-4-[methyl-(5-propan-2-ylpyridin-3-yl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-N3-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide

Systemtic Name: 5-(6-fluoranylpyridin-3-yl)-N3-methyl-N1-[(2S,3R)-4-[methyl-(5-propan-2-ylpyridin-3-yl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-N3-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide Openeye Name: N1-[(1S,2R)-1-benzyl-2-hydroxy-3-[(5-isopropyl-3-pyridyl)-methyl-amino]propyl]-5-(6-fluoro-3-pyridyl)-N3-methyl-N3-[(4-methylthiazol-2-yl)methyl]benzene-1,3-dicarboxamide CAS Name: 5-(6-fluoro-3-pyridinyl)-N1-[(2S,3R)-3-hydroxy-4-[methyl-(5-propan-2-yl-3-pyridinyl)amino]-1-phenylbutan-2-yl]-N3-methyl-N3-[(4-methyl-2-thiazolyl)methyl]benzene-1,3-dicarboxamide IUPAC Name: 5-(6-fluoropyridin-3-yl)-1-N-[(2S,3R)-3-hydroxy-4-[methyl-(5-propan-2-ylpyridin-3-yl)amino]-1-phenylbutan-2-yl]-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(5-isopropyl-3-pyridyl)-methyl-amino]propyl]-5-(6-fluoro-3-pyridyl)-N'-methyl-N'-[(4-methylthiazol-2-yl)methyl]isophthalamide Formula: C38H41FN6O3S MolecularWeight: 680.833943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)CN(C)C(=O)C2=CC(=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(CN(C)C4=CN=CC(=C4)C(C)C)O)C5=CN=C(C=C5)F

Isomeric SMILES

CC1=CSC(=N1)CN(C)C(=O)C2=CC(=CC(=C2)C(=O)N[C@@H](CC3=CC=CC=C3)[C@@H](CN(C)C4=CN=CC(=C4)C(C)C)O)C5=CN=C(C=C5)F

InChI

InChI=1S/C38H41FN6O3S/c1-24(2)31-17-32(20-40-18-31)44(4)21-34(46)33(13-26-9-7-6-8-10-26)43-37(47)29-14-28(27-11-12-35(39)41-19-27)15-30(16-29)38(48)45(5)22-36-42-25(3)23-49-36/h6-12,14-20,23-24,33-34,46H,13,21-22H2,1-5H3,(H,43,47)/t33-,34+/m0/s1