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

Systemtic Name: [(2S)-1-methoxy-1-oxidanylidene-6-(phenylmethoxycarbonylamino)hexan-2-yl]azanium chloride Openeye Name: [(1S)-5-(benzyloxycarbonylamino)-1-methoxycarbonyl-pentyl]ammonium chloride CAS Name: [(2S)-1-methoxy-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]ammonium chloride IUPAC Name: [(2S)-1-methoxy-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]azanium chloride Traditional Name: [(1S)-5-(benzyloxycarbonylamino)-1-carbomethoxy-pentyl]ammonium chloride Formula: C15H23ClN2O4 MolecularWeight: 330.80712

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCNC(=O)OCC1=CC=CC=C1)[NH3+].[Cl-]

Isomeric SMILES

COC(=O)[C@H](CCCCNC(=O)OCC1=CC=CC=C1)[NH3+].[Cl-]

InChI

InChI=1S/C15H22N2O4.ClH/c1-20-14(18)13(16)9-5-6-10-17-15(19)21-11-12-7-3-2-4-8-12;/h2-4,7-8,13H,5-6,9-11,16H2,1H3,(H,17,19);1H/t13-;/m0./s1