[(2S)-1-oxidanylidene-1-phenylmethoxy-6-(phenylmethoxycarbonylamino)hexan-2-yl]azanium chloride

Systemtic Name: [(2S)-1-oxidanylidene-1-phenylmethoxy-6-(phenylmethoxycarbonylamino)hexan-2-yl]azanium chloride Openeye Name: [(1S)-1-benzyloxycarbonyl-5-(benzyloxycarbonylamino)pentyl]ammonium chloride CAS Name: [(2S)-1-oxo-1-phenylmethoxy-6-(phenylmethoxycarbonylamino)hexan-2-yl]ammonium chloride IUPAC Name: [(2S)-1-oxo-1-phenylmethoxy-6-(phenylmethoxycarbonylamino)hexan-2-yl]azanium chloride Traditional Name: [(1S)-5-(benzyloxycarbonylamino)-1-carbobenzoxy-pentyl]ammonium chloride Formula: C21H27ClN2O4 MolecularWeight: 406.90308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)[NH3+].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CCCCNC(=O)OCC2=CC=CC=C2)[NH3+].[Cl-]

InChI

InChI=1S/C21H26N2O4.ClH/c22-19(20(24)26-15-17-9-3-1-4-10-17)13-7-8-14-23-21(25)27-16-18-11-5-2-6-12-18;/h1-6,9-12,19H,7-8,13-16,22H2,(H,23,25);1H/t19-;/m0./s1