(2S)-2-[3-[(4-hydroxyphenyl)-methyl-amino]propanoylamino]propanoic acid

Systemtic Name: (2S)-2-[3-[(4-hydroxyphenyl)-methyl-amino]propanoylamino]propanoic acid Openeye Name: (2S)-2-[3-(4-hydroxy-N-methyl-anilino)propanoylamino]propanoic acid CAS Name: (2S)-2-[[3-(4-hydroxy-N-methylanilino)-1-oxopropyl]amino]propanoic acid IUPAC Name: (2S)-2-[3-(4-hydroxy-N-methylanilino)propanoylamino]propanoic acid Traditional Name: (2S)-2-[3-(4-hydroxy-N-methyl-anilino)propanoylamino]propionic acid Formula: C13H18N2O4 MolecularWeight: 266.29302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CCN(C)C1=CC=C(C=C1)O

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)CCN(C)C1=CC=C(C=C1)O

InChI

InChI=1S/C13H18N2O4/c1-9(13(18)19)14-12(17)7-8-15(2)10-3-5-11(16)6-4-10/h3-6,9,16H,7-8H2,1-2H3,(H,14,17)(H,18,19)/t9-/m0/s1