dimethyl-[2-[4-[(2S)-3-oxidanylidene-2-(phenylmethoxycarbonylamino)-3-[(phenylmethyl)amino]propyl]phenoxy]ethyl]azanium chloride

Systemtic Name: dimethyl-[2-[4-[(2S)-3-oxidanylidene-2-(phenylmethoxycarbonylamino)-3-[(phenylmethyl)amino]propyl]phenoxy]ethyl]azanium chloride Openeye Name: 2-[4-[(2S)-3-(benzylamino)-2-(benzyloxycarbonylamino)-3-oxo-propyl]phenoxy]ethyl-dimethyl-ammonium chloride CAS Name: dimethyl-[2-[4-[(2S)-3-oxo-2-(phenylmethoxycarbonylamino)-3-[(phenylmethyl)amino]propyl]phenoxy]ethyl]ammonium chloride IUPAC Name: 2-[4-[(2S)-3-(benzylamino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenoxy]ethyl-dimethylazanium chloride Traditional Name: 2-[4-[(2S)-3-(benzylamino)-2-(benzyloxycarbonylamino)-3-keto-propyl]phenoxy]ethyl-dimethyl-ammonium chloride Formula: C28H34ClN3O4 MolecularWeight: 512.04026

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=CC=C(C=C1)CC(C(=O)NCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C[NH+](C)CCOC1=CC=C(C=C1)C[C@@H](C(=O)NCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C28H33N3O4.ClH/c1-31(2)17-18-34-25-15-13-22(14-16-25)19-26(27(32)29-20-23-9-5-3-6-10-23)30-28(33)35-21-24-11-7-4-8-12-24;/h3-16,26H,17-21H2,1-2H3,(H,29,32)(H,30,33);1H/t26-;/m0./s1