N3-[(2S,3R)-4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-N3-[(4-methylpyrimidin-2-yl)methyl]benzene-1,3-dicarboxamide

Systemtic Name: N3-[(2S,3R)-4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-N3-[(4-methylpyrimidin-2-yl)methyl]benzene-1,3-dicarboxamide Openeye Name: N3-[(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-N3-[(4-methylpyrimidin-2-yl)methyl]benzene-1,3-dicarboxamide CAS Name: N3-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-N3-[(4-methyl-2-pyrimidinyl)methyl]benzene-1,3-dicarboxamide IUPAC Name: 3-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-3-N-[(4-methylpyrimidin-2-yl)methyl]benzene-1,3-dicarboxamide Traditional Name: N'-[(1S,2R)-1-benzyl-2-hydroxy-3-(m-anisylamino)propyl]-N'-[(4-methylpyrimidin-2-yl)methyl]isophthalamide Formula: C32H35N5O4 MolecularWeight: 553.6514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)CN(C(CC2=CC=CC=C2)C(CNCC3=CC(=CC=C3)OC)O)C(=O)C4=CC=CC(=C4)C(=O)N

Isomeric SMILES

CC1=NC(=NC=C1)CN([C@@H](CC2=CC=CC=C2)[C@@H](CNCC3=CC(=CC=C3)OC)O)C(=O)C4=CC=CC(=C4)C(=O)N

InChI

InChI=1S/C32H35N5O4/c1-22-14-15-35-30(36-22)21-37(32(40)26-12-7-11-25(18-26)31(33)39)28(17-23-8-4-3-5-9-23)29(38)20-34-19-24-10-6-13-27(16-24)41-2/h3-16,18,28-29,34,38H,17,19-21H2,1-2H3,(H2,33,39)/t28-,29+/m0/s1