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

Systemtic Name: 2-[[2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoate Openeye Name: 2-[[2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: 2-[[2-ammonio-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-(4-hydroxyphenyl)propanoate IUPAC Name: 2-[[2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-[[2-ammonio-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propionate Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC(CC2=CC=C(C=C2)O)C(=O)[O-])[NH3+])O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)NC(CC2=CC=C(C=C2)O)C(=O)[O-])[NH3+])O

InChI

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