1-oxidanyl-1-(sulfinatoamino)ethane; 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 1-oxidanyl-1-(sulfinatoamino)ethane; 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-phenyl-propanoic acid; 1-hydroxy-1-(sulfinatoamino)ethane CAS Name: 1-hydroxy-1-(sulfinatoamino)ethane; 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 1-hydroxy-1-(sulfinatoamino)ethane; 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-phenyl-propionic acid; 1-hydroxy-1-(sulfinatoamino)ethane Formula: C19H23N2O7S- MolecularWeight: 423.46012

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Descriptors Computed from Structure

Canonical SMILES:

CC(NS(=O)[O-])O.C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(NS(=O)[O-])O.C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H17NO4.C2H7NO3S/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14;1-2(4)3-7(5)6/h1-10,15H,11-12H2,(H,18,21)(H,19,20);2-4H,1H3,(H,5,6)/p-1