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

Systemtic Name: N3-methyl-N1-[(2S,3R)-4-[methyl-(6-methylpyridin-2-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-[methyl-(6-methyl-2-pyridyl)amino]propyl]-N3-methyl-N3-[(4-methylthiazol-2-yl)methyl]benzene-1,3-dicarboxamide CAS Name: N1-[(2S,3R)-3-hydroxy-4-[methyl-(6-methyl-2-pyridinyl)amino]-1-phenylbutan-2-yl]-N3-methyl-N3-[(4-methyl-2-thiazolyl)methyl]benzene-1,3-dicarboxamide IUPAC Name: 1-N-[(2S,3R)-3-hydroxy-4-[methyl-(6-methylpyridin-2-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-[methyl-(6-methyl-2-pyridyl)amino]propyl]-N'-methyl-N'-[(4-methylthiazol-2-yl)methyl]isophthalamide Formula: C31H35N5O3S MolecularWeight: 557.7063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)N(C)CC(C(CC2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)C(=O)N(C)CC4=NC(=CS4)C)O

Isomeric SMILES

CC1=NC(=CC=C1)N(C)C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)C(=O)N(C)CC4=NC(=CS4)C)O

InChI

InChI=1S/C31H35N5O3S/c1-21-10-8-15-28(32-21)35(3)18-27(37)26(16-23-11-6-5-7-12-23)34-30(38)24-13-9-14-25(17-24)31(39)36(4)19-29-33-22(2)20-40-29/h5-15,17,20,26-27,37H,16,18-19H2,1-4H3,(H,34,38)/t26-,27+/m0/s1