(2S)-2-azanyl-3-(2-methyl-4-oxidanyl-6-propan-2-yl-phenyl)propanoic acid

Systemtic Name: (2S)-2-azanyl-3-(2-methyl-4-oxidanyl-6-propan-2-yl-phenyl)propanoic acid Openeye Name: (2S)-2-amino-3-(4-hydroxy-2-isopropyl-6-methyl-phenyl)propanoic acid CAS Name: (2S)-2-amino-3-(4-hydroxy-2-methyl-6-propan-2-ylphenyl)propanoic acid IUPAC Name: (2S)-2-amino-3-(4-hydroxy-2-methyl-6-propan-2-ylphenyl)propanoic acid Traditional Name: (2S)-2-amino-3-(4-hydroxy-2-isopropyl-6-methyl-phenyl)propionic acid Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)O)N)C(C)C)O

Isomeric SMILES

CC1=CC(=CC(=C1C[C@@H](C(=O)O)N)C(C)C)O

InChI

InChI=1S/C13H19NO3/c1-7(2)10-5-9(15)4-8(3)11(10)6-12(14)13(16)17/h4-5,7,12,15H,6,14H2,1-3H3,(H,16,17)/t12-/m0/s1