4-azanyl-5-oxidanylidene-5-phenethylsulfanyloxy-pentanoate; ethanamine

Systemtic Name: 4-azanyl-5-oxidanylidene-5-phenethylsulfanyloxy-pentanoate; ethanamine Openeye Name: 4-amino-5-oxo-5-phenethylsulfanyloxy-pentanoate; ethanamine CAS Name: 4-amino-5-oxo-5-(phenethylthio)oxypentanoate; ethanamine IUPAC Name: 4-amino-5-oxo-5-phenethylsulfanyloxypentanoate; ethanamine Traditional Name: 4-amino-5-keto-5-(phenethylthio)oxy-valerate; ethylamine Formula: C15H23N2O4S- MolecularWeight: 327.41912

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Descriptors Computed from Structure

Canonical SMILES:

CCN.C1=CC=C(C=C1)CCSOC(=O)C(CCC(=O)[O-])N

Isomeric SMILES

CCN.C1=CC=C(C=C1)CCSOC(=O)C(CCC(=O)[O-])N

InChI

InChI=1S/C13H17NO4S.C2H7N/c14-11(6-7-12(15)16)13(17)18-19-9-8-10-4-2-1-3-5-10;1-2-3/h1-5,11H,6-9,14H2,(H,15,16);2-3H2,1H3/p-1