3-[[3,3-dimethyl-1-oxidanylidene-1-(1-phenylethylamino)butan-2-yl]carbamoyl]-6-(3-methyl-2-phenyl-phenyl)-2-propyl-hexanoic acid

Systemtic Name: 3-[[3,3-dimethyl-1-oxidanylidene-1-(1-phenylethylamino)butan-2-yl]carbamoyl]-6-(3-methyl-2-phenyl-phenyl)-2-propyl-hexanoic acid Openeye Name: 3-[[2,2-dimethyl-1-(1-phenylethylcarbamoyl)propyl]carbamoyl]-6-(3-methyl-2-phenyl-phenyl)-2-propyl-hexanoic acid CAS Name: 3-[[[3,3-dimethyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]amino]-oxomethyl]-6-(3-methyl-2-phenylphenyl)-2-propylhexanoic acid IUPAC Name: 3-[[3,3-dimethyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]carbamoyl]-6-(3-methyl-2-phenylphenyl)-2-propylhexanoic acid Traditional Name: 3-[[2,2-dimethyl-1-(1-phenylethylcarbamoyl)propyl]carbamoyl]-6-(3-methyl-2-phenyl-phenyl)-2-propyl-hexanoic acid Formula: C37H48N2O4 MolecularWeight: 584.78802

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CCCC1=CC=CC(=C1C2=CC=CC=C2)C)C(=O)NC(C(=O)NC(C)C3=CC=CC=C3)C(C)(C)C)C(=O)O

Isomeric SMILES

CCCC(C(CCCC1=CC=CC(=C1C2=CC=CC=C2)C)C(=O)NC(C(=O)NC(C)C3=CC=CC=C3)C(C)(C)C)C(=O)O

InChI

InChI=1S/C37H48N2O4/c1-7-16-31(36(42)43)30(24-15-23-29-22-14-17-25(2)32(29)28-20-12-9-13-21-28)34(40)39-33(37(4,5)6)35(41)38-26(3)27-18-10-8-11-19-27/h8-14,17-22,26,30-31,33H,7,15-16,23-24H2,1-6H3,(H,38,41)(H,39,40)(H,42,43)