2-[[2-acetamido-3-(5-oxidanyl-1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[[2-acetamido-3-(5-oxidanyl-1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[2-acetamido-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[2-acetamido-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[2-acetamido-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[2-acetamido-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C22H23N3O6 MolecularWeight: 425.43452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=C1C=C(C=C2)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CNC2=C1C=C(C=C2)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O

InChI

InChI=1S/C22H23N3O6/c1-12(26)24-19(9-14-11-23-18-7-6-16(28)10-17(14)18)21(29)25-20(22(30)31)8-13-2-4-15(27)5-3-13/h2-7,10-11,19-20,23,27-28H,8-9H2,1H3,(H,24,26)(H,25,29)(H,30,31)