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

Systemtic Name: (2S)-2-azanyl-3-phenyl-propanoic acid; methyl (2R)-3-phenyl-2-(propanoylamino)propanoate Openeye Name: (2S)-2-amino-3-phenyl-propanoic acid; methyl (2R)-3-phenyl-2-(propanoylamino)propanoate CAS Name: (2S)-2-amino-3-phenylpropanoic acid; (2R)-2-(1-oxopropylamino)-3-phenylpropanoic acid methyl ester IUPAC Name: (2S)-2-amino-3-phenylpropanoic acid; methyl (2R)-3-phenyl-2-(propanoylamino)propanoate Traditional Name: (2S)-2-amino-3-phenyl-propionic acid; (2R)-3-phenyl-2-propionamido-propionic acid methyl ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(=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/C13H17NO3.C9H11NO2/c1-3-12(15)14-11(13(16)17-2)9-10-7-5-4-6-8-10;10-8(9(11)12)6-7-4-2-1-3-5-7/h4-8,11H,3,9H2,1-2H3,(H,14,15);1-5,8H,6,10H2,(H,11,12)/t11-;8-/m10/s1