2-azanyl-3-phenyl-propanoic acid; (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonamide

Systemtic Name: 2-azanyl-3-phenyl-propanoic acid; (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonamide Openeye Name: 2-amino-3-phenyl-propanoic acid; (7,7-dimethyl-2-oxo-norbornan-1-yl)methanesulfonamide CAS Name: 2-amino-3-phenylpropanoic acid; (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonamide IUPAC Name: 2-amino-3-phenylpropanoic acid; (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonamide Traditional Name: 2-amino-3-phenyl-propionic acid; (2-keto-7,7-dimethyl-norbornan-1-yl)methanesulfonamide Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)N)C.C1=CC=C(C=C1)CC(C(=O)O)N

Isomeric SMILES

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)N)C.C1=CC=C(C=C1)CC(C(=O)O)N

InChI

InChI=1S/C10H17NO3S.C9H11NO2/c1-9(2)7-3-4-10(9,8(12)5-7)6-15(11,13)14;10-8(9(11)12)6-7-4-2-1-3-5-7/h7H,3-6H2,1-2H3,(H2,11,13,14);1-5,8H,6,10H2,(H,11,12)