2-azanyl-3-[2-methyl-3-[methyl(2-pyridin-2-ylethyl)carbamoyl]-4-oxidanyl-phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-methyl-3-[methyl(2-pyridin-2-ylethyl)carbamoyl]-4-oxidanyl-phenyl]propanoic acid Openeye Name: 2-amino-3-[4-hydroxy-2-methyl-3-[methyl-[2-(2-pyridyl)ethyl]carbamoyl]phenyl]propanoic acid CAS Name: 2-amino-3-[4-hydroxy-2-methyl-3-[[methyl-[2-(2-pyridinyl)ethyl]amino]-oxomethyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-hydroxy-2-methyl-3-[methyl(2-pyridin-2-ylethyl)carbamoyl]phenyl]propanoic acid Traditional Name: 2-amino-3-[4-hydroxy-2-methyl-3-[methyl-[2-(2-pyridyl)ethyl]carbamoyl]phenyl]propionic acid Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C(=O)N(C)CCC2=CC=CC=N2)O)CC(C(=O)O)N

Isomeric SMILES

CC1=C(C=CC(=C1C(=O)N(C)CCC2=CC=CC=N2)O)CC(C(=O)O)N

InChI

InChI=1S/C19H23N3O4/c1-12-13(11-15(20)19(25)26)6-7-16(23)17(12)18(24)22(2)10-8-14-5-3-4-9-21-14/h3-7,9,15,23H,8,10-11,20H2,1-2H3,(H,25,26)