2-[(2-azaniumyl-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: 2-[(2-azaniumyl-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoate Openeye Name: 2-[(2-azaniumyl-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoate CAS Name: 2-[(2-ammonio-3-methyl-1-oxobutyl)amino]-3-(4-hydroxyphenyl)propanoate IUPAC Name: 2-[(2-azaniumyl-3-methylbutanoyl)amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-[(2-ammonio-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propionate Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4/c1-8(2)12(15)13(18)16-11(14(19)20)7-9-3-5-10(17)6-4-9/h3-6,8,11-12,17H,7,15H2,1-2H3,(H,16,18)(H,19,20)