(2S)-2-azanyl-3-phenyl-propanoic acid; (2S)-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2S)-2-azanyl-3-phenyl-propanoic acid; (2S)-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-2-amino-3-phenyl-propanoic acid; (2S)-2-(benzyloxycarbonylamino)propanoic acid CAS Name: (2S)-2-amino-3-phenylpropanoic acid; (2S)-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: (2S)-2-amino-3-phenylpropanoic acid; (2S)-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-2-amino-3-phenyl-propionic acid; (2S)-2-(benzyloxycarbonylamino)propionic acid Formula: C20H24N2O6 MolecularWeight: 388.41436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1.C1=CC=C(C=C1)C[C@@H](C(=O)O)N

InChI

InChI=1S/C11H13NO4.C9H11NO2/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9;10-8(9(11)12)6-7-4-2-1-3-5-7/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14);1-5,8H,6,10H2,(H,11,12)/t2*8-/m00/s1