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

Systemtic Name: (2S)-2-azanyl-3-phenyl-propanoic acid; ethyl (2R)-2-acetamido-3-phenyl-propanoate Openeye Name: (2S)-2-amino-3-phenyl-propanoic acid; ethyl (2R)-2-acetamido-3-phenyl-propanoate CAS Name: (2R)-2-acetamido-3-phenylpropanoic acid ethyl ester; (2S)-2-amino-3-phenylpropanoic acid IUPAC Name: (2S)-2-amino-3-phenylpropanoic acid; ethyl (2R)-2-acetamido-3-phenylpropanoate Traditional Name: (2R)-2-acetamido-3-phenyl-propionic acid ethyl ester; (2S)-2-amino-3-phenyl-propionic acid Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3.C9H11NO2/c1-3-17-13(16)12(14-10(2)15)9-11-7-5-4-6-8-11;10-8(9(11)12)6-7-4-2-1-3-5-7/h4-8,12H,3,9H2,1-2H3,(H,14,15);1-5,8H,6,10H2,(H,11,12)/t12-;8-/m10/s1