(2S)-4-oxidanylidene-4-phenylazanyl-2-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: (2S)-4-oxidanylidene-4-phenylazanyl-2-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: (2S)-4-anilino-2-(benzyloxycarbonylamino)-4-oxo-butanoic acid CAS Name: (2S)-4-anilino-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: (2S)-4-anilino-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: (2S)-4-anilino-2-(benzyloxycarbonylamino)-4-keto-butyric acid Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC(=O)NC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC(=O)NC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H18N2O5/c21-16(19-14-9-5-2-6-10-14)11-15(17(22)23)20-18(24)25-12-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,19,21)(H,20,24)(H,22,23)/t15-/m0/s1