2-[2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3-(phenylmethyl)azepan-1-yl]ethanoic acid

Systemtic Name: 2-[2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3-(phenylmethyl)azepan-1-yl]ethanoic acid Openeye Name: 2-[3-benzyl-3-(benzyloxycarbonylamino)-2-oxo-azepan-1-yl]acetic acid CAS Name: 2-[2-oxo-3-(phenylmethoxycarbonylamino)-3-(phenylmethyl)-1-azepanyl]acetic acid IUPAC Name: 2-[3-benzyl-2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]acetic acid Traditional Name: 2-[3-benzyl-3-(benzyloxycarbonylamino)-2-keto-azepan-1-yl]acetic acid Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

C1CCN(C(=O)C(C1)(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C23H26N2O5/c26-20(27)16-25-14-8-7-13-23(21(25)28,15-18-9-3-1-4-10-18)24-22(29)30-17-19-11-5-2-6-12-19/h1-6,9-12H,7-8,13-17H2,(H,24,29)(H,26,27)