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

Systemtic Name: 2-acetamido-3-[3-[2-[(4-methylphenyl)amino]propanoyl]-4-oxidanyl-phenyl]propanoic acid Openeye Name: 2-acetamido-3-[4-hydroxy-3-[2-(4-methylanilino)propanoyl]phenyl]propanoic acid CAS Name: 2-acetamido-3-[4-hydroxy-3-[2-(4-methylanilino)-1-oxopropyl]phenyl]propanoic acid IUPAC Name: 2-acetamido-3-[4-hydroxy-3-[2-(4-methylanilino)propanoyl]phenyl]propanoic acid Traditional Name: 2-acetamido-3-[4-hydroxy-3-[2-(p-toluidino)propanoyl]phenyl]propionic acid Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5/c1-12-4-7-16(8-5-12)22-13(2)20(26)17-10-15(6-9-19(17)25)11-18(21(27)28)23-14(3)24/h4-10,13,18,22,25H,11H2,1-3H3,(H,23,24)(H,27,28)