N3-methyl-N1-[(2R,3S)-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: N3-methyl-N1-[(2R,3S)-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-[(1R,2S)-1-benzyl-2-hydroxy-3-[(5-isopropyl-3-pyridyl)-methyl-amino]propyl]-N3-methyl-N3-[(4-methylthiazol-2-yl)methyl]benzene-1,3-dicarboxamide CAS Name: N1-[(2R,3S)-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: 1-N-[(2R,3S)-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-[(1R,2S)-1-benzyl-2-hydroxy-3-[(5-isopropyl-3-pyridyl)-methyl-amino]propyl]-N'-methyl-N'-[(4-methylthiazol-2-yl)methyl]isophthalamide Formula: C33H39N5O3S MolecularWeight: 585.75946

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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

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

InChI

InChI=1S/C33H39N5O3S/c1-22(2)27-16-28(18-34-17-27)37(4)19-30(39)29(14-24-10-7-6-8-11-24)36-32(40)25-12-9-13-26(15-25)33(41)38(5)20-31-35-23(3)21-42-31/h6-13,15-18,21-22,29-30,39H,14,19-20H2,1-5H3,(H,36,40)/t29-,30+/m1/s1