N-[5-[2-(2,6-dimethylphenoxy)ethanoylamino]-6-imidazolidin-2-ylsulfinyl-4-oxidanyl-1,6-diphenyl-hexan-2-yl]-3-methyl-butanamide

Systemtic Name: N-[5-[2-(2,6-dimethylphenoxy)ethanoylamino]-6-imidazolidin-2-ylsulfinyl-4-oxidanyl-1,6-diphenyl-hexan-2-yl]-3-methyl-butanamide Openeye Name: N-[1-benzyl-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-imidazolidin-2-ylsulfinyl-5-phenyl-pentyl]-3-methyl-butanamide CAS Name: N-[5-[[2-(2,6-dimethylphenoxy)-1-oxoethyl]amino]-4-hydroxy-6-(2-imidazolidinylsulfinyl)-1,6-diphenylhexan-2-yl]-3-methylbutanamide IUPAC Name: N-[5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-6-imidazolidin-2-ylsulfinyl-1,6-diphenylhexan-2-yl]-3-methylbutanamide Traditional Name: N-[1-benzyl-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-imidazolidin-2-ylsulfinyl-5-phenyl-pentyl]-3-methyl-butyramide Formula: C36H48N4O5S MolecularWeight: 648.85512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(=O)NC(C(CC(CC2=CC=CC=C2)NC(=O)CC(C)C)O)C(C3=CC=CC=C3)S(=O)C4NCCN4

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(=O)NC(C(CC(CC2=CC=CC=C2)NC(=O)CC(C)C)O)C(C3=CC=CC=C3)S(=O)C4NCCN4

InChI

InChI=1S/C36H48N4O5S/c1-24(2)20-31(42)39-29(21-27-14-7-5-8-15-27)22-30(41)33(40-32(43)23-45-34-25(3)12-11-13-26(34)4)35(28-16-9-6-10-17-28)46(44)36-37-18-19-38-36/h5-17,24,29-30,33,35-38,41H,18-23H2,1-4H3,(H,39,42)(H,40,43)