oxidanyl-[(4S)-5-oxidanyl-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentyl]azanium chloride

Systemtic Name: oxidanyl-[(4S)-5-oxidanyl-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentyl]azanium chloride Openeye Name: [(4S)-4-(benzyloxycarbonylamino)-5-hydroxy-5-oxo-pentyl]-hydroxy-ammonium chloride CAS Name: hydroxy-[(4S)-5-hydroxy-5-oxo-4-(phenylmethoxycarbonylamino)pentyl]ammonium chloride IUPAC Name: hydroxy-[(4S)-5-hydroxy-5-oxo-4-(phenylmethoxycarbonylamino)pentyl]azanium chloride Traditional Name: [(4S)-4-(benzyloxycarbonylamino)-5-hydroxy-5-keto-pentyl]-hydroxy-ammonium chloride Formula: C13H19ClN2O5 MolecularWeight: 318.75336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCC[NH2+]O)C(=O)O.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CCC[NH2+]O)C(=O)O.[Cl-]

InChI

InChI=1S/C13H18N2O5.ClH/c16-12(17)11(7-4-8-14-19)15-13(18)20-9-10-5-2-1-3-6-10;/h1-3,5-6,11,14,19H,4,7-9H2,(H,15,18)(H,16,17);1H/t11-;/m0./s1