2-azanyl-3-[3-ethanoyl-4-(3-methylbutanoyloxy)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-ethanoyl-4-(3-methylbutanoyloxy)phenyl]propanoic acid Openeye Name: 3-[3-acetyl-4-(3-methylbutanoyloxy)phenyl]-2-amino-propanoic acid CAS Name: 3-[3-acetyl-4-(3-methyl-1-oxobutoxy)phenyl]-2-aminopropanoic acid IUPAC Name: 3-[3-acetyl-4-(3-methylbutanoyloxy)phenyl]-2-aminopropanoic acid Traditional Name: 3-(3-acetyl-4-isovaleryloxy-phenyl)-2-amino-propionic acid Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC1=C(C=C(C=C1)CC(C(=O)O)N)C(=O)C

Isomeric SMILES

CC(C)CC(=O)OC1=C(C=C(C=C1)CC(C(=O)O)N)C(=O)C

InChI

InChI=1S/C16H21NO5/c1-9(2)6-15(19)22-14-5-4-11(7-12(14)10(3)18)8-13(17)16(20)21/h4-5,7,9,13H,6,8,17H2,1-3H3,(H,20,21)