(3S)-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-4-(4-phenylmethoxyphenyl)butanoic acid

Systemtic Name: (3S)-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-4-(4-phenylmethoxyphenyl)butanoic acid Openeye Name: (3S)-3-(benzyloxycarbonylamino)-4-(4-benzyloxyphenyl)-2-oxo-butanoic acid CAS Name: (3S)-2-oxo-3-(phenylmethoxycarbonylamino)-4-(4-phenylmethoxyphenyl)butanoic acid IUPAC Name: (3S)-2-oxo-3-(phenylmethoxycarbonylamino)-4-(4-phenylmethoxyphenyl)butanoic acid Traditional Name: (3S)-4-(4-benzoxyphenyl)-3-(benzyloxycarbonylamino)-2-keto-butyric acid Formula: C25H23NO6 MolecularWeight: 433.45322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(C(=O)C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C[C@@H](C(=O)C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H23NO6/c27-23(24(28)29)22(26-25(30)32-17-20-9-5-2-6-10-20)15-18-11-13-21(14-12-18)31-16-19-7-3-1-4-8-19/h1-14,22H,15-17H2,(H,26,30)(H,28,29)/t22-/m0/s1