3-[3-(2-azanyl-3-phenyl-propanoyl)-4-oxidanyl-phenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid

Systemtic Name: 3-[3-(2-azanyl-3-phenyl-propanoyl)-4-oxidanyl-phenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid Openeye Name: 3-[3-(2-amino-3-phenyl-propanoyl)-4-hydroxy-phenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid CAS Name: 3-[3-(2-amino-1-oxo-3-phenylpropyl)-4-hydroxyphenyl]-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid IUPAC Name: 3-[3-(2-amino-3-phenylpropanoyl)-4-hydroxyphenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid Traditional Name: 3-(4-hydroxy-3-phenylalanyl-phenyl)-2-[[(E)-3-phenylacryloyl]amino]propionic acid Formula: C27H26N2O5 MolecularWeight: 458.50574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)C2=C(C=CC(=C2)CC(C(=O)O)NC(=O)C=CC3=CC=CC=C3)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)C2=C(C=CC(=C2)CC(C(=O)O)NC(=O)/C=C/C3=CC=CC=C3)O)N

InChI

InChI=1S/C27H26N2O5/c28-22(16-19-9-5-2-6-10-19)26(32)21-15-20(11-13-24(21)30)17-23(27(33)34)29-25(31)14-12-18-7-3-1-4-8-18/h1-15,22-23,30H,16-17,28H2,(H,29,31)(H,33,34)/b14-12+