methyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]-3-methyl-butanoate CAS Name: (2S)-2-[[4-(2-cyanophenyl)phenyl]methyl-(1-oxopentyl)amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoylamino]-3-methylbutanoate Traditional Name: (2S)-2-[[4-(2-cyanophenyl)benzyl]-valeryl-amino]-3-methyl-butyric acid methyl ester 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(C)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O3/c1-5-6-11-23(28)27(24(18(2)3)25(29)30-4)17-19-12-14-20(15-13-19)22-10-8-7-9-21(22)16-26/h7-10,12-15,18,24H,5-6,11,17H2,1-4H3/t24-/m0/s1