2-[(2-azaniumyl-3-methyl-butanoyl)amino]-3-phenyl-propanoate

Systemtic Name: 2-[(2-azaniumyl-3-methyl-butanoyl)amino]-3-phenyl-propanoate Openeye Name: 2-[(2-azaniumyl-3-methyl-butanoyl)amino]-3-phenyl-propanoate CAS Name: 2-[(2-ammonio-3-methyl-1-oxobutyl)amino]-3-phenylpropanoate IUPAC Name: 2-[(2-azaniumyl-3-methylbutanoyl)amino]-3-phenylpropanoate Traditional Name: 2-[(2-ammonio-3-methyl-butanoyl)amino]-3-phenyl-propionate Formula: C14H20N2O3 MolecularWeight: 264.3202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[NH3+]

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[NH3+]

InChI

InChI=1S/C14H20N2O3/c1-9(2)12(15)13(17)16-11(14(18)19)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H,16,17)(H,18,19)