2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-[3,4-bis(oxidanyl)phenyl]propanoic acid

Systemtic Name: 2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-[3,4-bis(oxidanyl)phenyl]propanoic acid Openeye Name: 2-[(2-amino-3-phenyl-propanoyl)amino]-3-(3,4-dihydroxyphenyl)propanoic acid CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)amino]-3-(3,4-dihydroxyphenyl)propanoic acid IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)amino]-3-(3,4-dihydroxyphenyl)propanoic acid Traditional Name: 3-(3,4-dihydroxyphenyl)-2-(phenylalanylamino)propionic acid Formula: C18H20N2O5 MolecularWeight: 344.3618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC(=C(C=C2)O)O)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC(=C(C=C2)O)O)C(=O)O)N

InChI

InChI=1S/C18H20N2O5/c19-13(8-11-4-2-1-3-5-11)17(23)20-14(18(24)25)9-12-6-7-15(21)16(22)10-12/h1-7,10,13-14,21-22H,8-9,19H2,(H,20,23)(H,24,25)