(3S)-3-(2-azanyl-2-oxidanylidene-ethyl)-5-methyl-hexanoate; [(2S)-2-oxidanyl-2-phenyl-ethyl]azanium

Systemtic Name: (3S)-3-(2-azanyl-2-oxidanylidene-ethyl)-5-methyl-hexanoate; [(2S)-2-oxidanyl-2-phenyl-ethyl]azanium Openeye Name: (3S)-3-(2-amino-2-oxo-ethyl)-5-methyl-hexanoate; [(2S)-2-hydroxy-2-phenyl-ethyl]ammonium CAS Name: (3S)-3-(2-amino-2-oxoethyl)-5-methylhexanoate; [(2S)-2-hydroxy-2-phenylethyl]ammonium IUPAC Name: (3S)-3-(2-amino-2-oxoethyl)-5-methylhexanoate; [(2S)-2-hydroxy-2-phenylethyl]azanium Traditional Name: (3S)-3-(2-amino-2-keto-ethyl)-5-methyl-hexanoate; [(2S)-2-hydroxy-2-phenyl-ethyl]ammonium Formula: C17H28N2O4 MolecularWeight: 324.41522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)N)CC(=O)[O-].C1=CC=C(C=C1)C(C[NH3+])O

Isomeric SMILES

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

InChI

InChI=1S/C9H17NO3.C8H11NO/c1-6(2)3-7(4-8(10)11)5-9(12)13;9-6-8(10)7-4-2-1-3-5-7/h6-7H,3-5H2,1-2H3,(H2,10,11)(H,12,13);1-5,8,10H,6,9H2/t7-;8-/m01/s1