(2S)-2-azanyl-3-phenyl-propanoic acid; methyl (2R)-2-acetamido-3-phenyl-propanoate

Systemtic Name: (2S)-2-azanyl-3-phenyl-propanoic acid; methyl (2R)-2-acetamido-3-phenyl-propanoate Openeye Name: (2S)-2-amino-3-phenyl-propanoic acid; methyl (2R)-2-acetamido-3-phenyl-propanoate CAS Name: (2R)-2-acetamido-3-phenylpropanoic acid methyl ester; (2S)-2-amino-3-phenylpropanoic acid IUPAC Name: (2S)-2-amino-3-phenylpropanoic acid; methyl (2R)-2-acetamido-3-phenylpropanoate Traditional Name: (2R)-2-acetamido-3-phenyl-propionic acid methyl ester; (2S)-2-amino-3-phenyl-propionic acid Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)OC.C1=CC=C(C=C1)CC(C(=O)O)N

Isomeric SMILES

CC(=O)N[C@H](CC1=CC=CC=C1)C(=O)OC.C1=CC=C(C=C1)C[C@@H](C(=O)O)N

InChI

InChI=1S/C12H15NO3.C9H11NO2/c1-9(14)13-11(12(15)16-2)8-10-6-4-3-5-7-10;10-8(9(11)12)6-7-4-2-1-3-5-7/h3-7,11H,8H2,1-2H3,(H,13,14);1-5,8H,6,10H2,(H,11,12)/t11-;8-/m10/s1