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

Systemtic Name: (2S)-2-azanyl-3-phenyl-propanoic acid; ethyl (2S)-2-azanyl-3-phenyl-propanoate Openeye Name: (2S)-2-amino-3-phenyl-propanoic acid; ethyl (2S)-2-amino-3-phenyl-propanoate CAS Name: (2S)-2-amino-3-phenylpropanoic acid; (2S)-2-amino-3-phenylpropanoic acid ethyl ester IUPAC Name: (2S)-2-amino-3-phenylpropanoic acid; ethyl (2S)-2-amino-3-phenylpropanoate Traditional Name: (2S)-2-amino-3-phenyl-propionic acid; (2S)-2-amino-3-phenyl-propionic acid ethyl ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO2.C9H11NO2/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9;10-8(9(11)12)6-7-4-2-1-3-5-7/h3-7,10H,2,8,12H2,1H3;1-5,8H,6,10H2,(H,11,12)/t10-;8-/m00/s1