2-azanyl-3-[2-methyl-4-oxidanyl-3-(3-phenylpropylcarbamoyl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-methyl-4-oxidanyl-3-(3-phenylpropylcarbamoyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-hydroxy-2-methyl-3-(3-phenylpropylcarbamoyl)phenyl]propanoic acid CAS Name: 2-amino-3-[4-hydroxy-2-methyl-3-[oxo-(3-phenylpropylamino)methyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-hydroxy-2-methyl-3-(3-phenylpropylcarbamoyl)phenyl]propanoic acid Traditional Name: 2-amino-3-[4-hydroxy-2-methyl-3-(3-phenylpropylcarbamoyl)phenyl]propionic acid Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C(=O)NCCCC2=CC=CC=C2)O)CC(C(=O)O)N

Isomeric SMILES

CC1=C(C=CC(=C1C(=O)NCCCC2=CC=CC=C2)O)CC(C(=O)O)N

InChI

InChI=1S/C20H24N2O4/c1-13-15(12-16(21)20(25)26)9-10-17(23)18(13)19(24)22-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,16,23H,5,8,11-12,21H2,1H3,(H,22,24)(H,25,26)