2-acetamido-3-[3-(2-azanyl-3-phenyl-propanoyl)-4-oxidanyl-phenyl]propanoic acid

Systemtic Name: 2-acetamido-3-[3-(2-azanyl-3-phenyl-propanoyl)-4-oxidanyl-phenyl]propanoic acid Openeye Name: 2-acetamido-3-[3-(2-amino-3-phenyl-propanoyl)-4-hydroxy-phenyl]propanoic acid CAS Name: 2-acetamido-3-[3-(2-amino-1-oxo-3-phenylpropyl)-4-hydroxyphenyl]propanoic acid IUPAC Name: 2-acetamido-3-[3-(2-amino-3-phenylpropanoyl)-4-hydroxyphenyl]propanoic acid Traditional Name: 2-acetamido-3-(4-hydroxy-3-phenylalanyl-phenyl)propionic acid Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=C(C=C1)O)C(=O)C(CC2=CC=CC=C2)N)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CC(=C(C=C1)O)C(=O)C(CC2=CC=CC=C2)N)C(=O)O

InChI

InChI=1S/C20H22N2O5/c1-12(23)22-17(20(26)27)11-14-7-8-18(24)15(9-14)19(25)16(21)10-13-5-3-2-4-6-13/h2-9,16-17,24H,10-11,21H2,1H3,(H,22,23)(H,26,27)