(2S)-2-azanyl-3-[4-(3-methyl-2-oxidanylidene-butanoyl)phenyl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[4-(3-methyl-2-oxidanylidene-butanoyl)phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[4-(3-methyl-2-oxo-butanoyl)phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[4-(3-methyl-1,2-dioxobutyl)phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-(3-methyl-2-oxobutanoyl)phenyl]propanoic acid Traditional Name: (2S)-2-amino-3-[4-(2-keto-3-methyl-butanoyl)phenyl]propionic acid Formula: C14H17NO4 MolecularWeight: 263.28908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(=O)C1=CC=C(C=C1)CC(C(=O)O)N

Isomeric SMILES

CC(C)C(=O)C(=O)C1=CC=C(C=C1)C[C@@H](C(=O)O)N

InChI

InChI=1S/C14H17NO4/c1-8(2)12(16)13(17)10-5-3-9(4-6-10)7-11(15)14(18)19/h3-6,8,11H,7,15H2,1-2H3,(H,18,19)/t11-/m0/s1