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

Systemtic Name: 2-[[2-[(2-azaniumyl-3-phenyl-propanoyl)amino]-3-methyl-butanoyl]amino]ethanoate Openeye Name: 2-[[2-[(2-azaniumyl-3-phenyl-propanoyl)amino]-3-methyl-butanoyl]amino]acetate CAS Name: 2-[[2-[(2-ammonio-1-oxo-3-phenylpropyl)amino]-3-methyl-1-oxobutyl]amino]acetate IUPAC Name: 2-[[2-[(2-azaniumyl-3-phenylpropanoyl)amino]-3-methylbutanoyl]amino]acetate Traditional Name: 2-[[2-[(2-ammonio-3-phenyl-propanoyl)amino]-3-methyl-butanoyl]amino]acetate Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4/c1-10(2)14(16(23)18-9-13(20)21)19-15(22)12(17)8-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9,17H2,1-2H3,(H,18,23)(H,19,22)(H,20,21)