[(2S)-3-oxidanyl-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]azanium chloride

Systemtic Name: [(2S)-3-oxidanyl-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]azanium chloride Openeye Name: [(2S)-2-(benzyloxycarbonylamino)-3-hydroxy-3-oxo-propyl]ammonium chloride CAS Name: [(2S)-3-hydroxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]ammonium chloride IUPAC Name: [(2S)-3-hydroxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]azanium chloride Traditional Name: [(2S)-2-(benzyloxycarbonylamino)-3-hydroxy-3-keto-propyl]ammonium chloride Formula: C11H15ClN2O4 MolecularWeight: 274.7008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O4.ClH/c12-6-9(10(14)15)13-11(16)17-7-8-4-2-1-3-5-8;/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15);1H/t9-;/m0./s1