(2S)-2-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoate Openeye Name: (2S)-2-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S)-2-ammonio-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S)-2-ammonio-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butyrate Formula: C14H20N2O4 MolecularWeight: 280.3196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4/c1-8(2)12(14(19)20)16-13(18)11(15)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)/t11-,12-/m0/s1