(2S)-2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]-3,3-dimethyl-butanoic acid

Systemtic Name: (2S)-2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]-3,3-dimethyl-butanoic acid Openeye Name: (2S)-2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]-3,3-dimethyl-butanoic acid CAS Name: (2S)-2-[[4-(2-cyanophenyl)phenyl]methyl-(1-oxopentyl)amino]-3,3-dimethylbutanoic acid IUPAC Name: (2S)-2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoylamino]-3,3-dimethylbutanoic acid Traditional Name: (2S)-2-[[4-(2-cyanophenyl)benzyl]-valeryl-amino]-3,3-dimethyl-butyric acid Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(C(=O)O)C(C)(C)C

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)[C@H](C(=O)O)C(C)(C)C

InChI

InChI=1S/C25H30N2O3/c1-5-6-11-22(28)27(23(24(29)30)25(2,3)4)17-18-12-14-19(15-13-18)21-10-8-7-9-20(21)16-26/h7-10,12-15,23H,5-6,11,17H2,1-4H3,(H,29,30)/t23-/m1/s1