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

Systemtic Name: (2S)-2-azanyl-3-phenyl-propanoic acid; (2S)-2-(phenylmethoxycarbonylamino)butanedioic acid Openeye Name: (2S)-2-amino-3-phenyl-propanoic acid; (2S)-2-(benzyloxycarbonylamino)butanedioic acid CAS Name: (2S)-2-amino-3-phenylpropanoic acid; (2S)-2-(phenylmethoxycarbonylamino)butanedioic acid IUPAC Name: (2S)-2-amino-3-phenylpropanoic acid; (2S)-2-(phenylmethoxycarbonylamino)butanedioic acid Traditional Name: (2S)-2-amino-3-phenyl-propionic acid; (2S)-2-(benzyloxycarbonylamino)succinic acid Formula: C21H24N2O8 MolecularWeight: 432.42386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO6.C9H11NO2/c14-10(15)6-9(11(16)17)13-12(18)19-7-8-4-2-1-3-5-8;10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,9H,6-7H2,(H,13,18)(H,14,15)(H,16,17);1-5,8H,6,10H2,(H,11,12)/t9-;8-/m00/s1