2,2-dimethyl-3-[[1-oxidanylidene-1-(pyridin-2-ylamino)butan-2-yl]carbamoyl]-6-(4-phenylphenyl)hex-5-ynoic acid

Systemtic Name: 2,2-dimethyl-3-[[1-oxidanylidene-1-(pyridin-2-ylamino)butan-2-yl]carbamoyl]-6-(4-phenylphenyl)hex-5-ynoic acid Openeye Name: 2,2-dimethyl-6-(4-phenylphenyl)-3-[1-(2-pyridylcarbamoyl)propylcarbamoyl]hex-5-ynoic acid CAS Name: 2,2-dimethyl-3-[oxo-[[1-oxo-1-(2-pyridinylamino)butan-2-yl]amino]methyl]-6-(4-phenylphenyl)-5-hexynoic acid IUPAC Name: 2,2-dimethyl-3-[[1-oxo-1-(pyridin-2-ylamino)butan-2-yl]carbamoyl]-6-(4-phenylphenyl)hex-5-ynoic acid Traditional Name: 2,2-dimethyl-6-(4-phenylphenyl)-3-[1-(2-pyridylcarbamoyl)propylcarbamoyl]hex-5-ynoic acid Formula: C30H31N3O4 MolecularWeight: 497.58484

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=N1)NC(=O)C(CC#CC2=CC=C(C=C2)C3=CC=CC=C3)C(C)(C)C(=O)O

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=N1)NC(=O)C(CC#CC2=CC=C(C=C2)C3=CC=CC=C3)C(C)(C)C(=O)O

InChI

InChI=1S/C30H31N3O4/c1-4-25(28(35)33-26-15-8-9-20-31-26)32-27(34)24(30(2,3)29(36)37)14-10-11-21-16-18-23(19-17-21)22-12-6-5-7-13-22/h5-9,12-13,15-20,24-25H,4,14H2,1-3H3,(H,32,34)(H,36,37)(H,31,33,35)