2-azanylpropanoic acid; 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: 2-azanylpropanoic acid; 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 2-aminopropanoic acid; 2-(benzyloxycarbonylamino)-3-methyl-butanoic acid CAS Name: 2-aminopropanoic acid; 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 2-aminopropanoic acid; 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 2-aminopropionic acid; 2-(benzyloxycarbonylamino)-3-methyl-butyric acid Formula: C16H24N2O6 MolecularWeight: 340.37156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)OCC1=CC=CC=C1.CC(C(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)OCC1=CC=CC=C1.CC(C(=O)O)N

InChI

InChI=1S/C13H17NO4.C3H7NO2/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10;1-2(4)3(5)6/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16);2H,4H2,1H3,(H,5,6)