2-azanyl-6-(phenylmethylsulfanyl)hexanoic acid hydrate

Systemtic Name: 2-azanyl-6-(phenylmethylsulfanyl)hexanoic acid hydrate Openeye Name: 2-amino-6-benzylsulfanyl-hexanoic acid hydrate CAS Name: 2-amino-6-(phenylmethylthio)hexanoic acid hydrate IUPAC Name: 2-amino-6-benzylsulfanylhexanoic acid hydrate Traditional Name: 2-amino-6-(benzylthio)hexanoic acid hydrate Formula: C13H21NO3S MolecularWeight: 271.37574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCCCC(C(=O)O)N.O

Isomeric SMILES

C1=CC=C(C=C1)CSCCCCC(C(=O)O)N.O

InChI

InChI=1S/C13H19NO2S.H2O/c14-12(13(15)16)8-4-5-9-17-10-11-6-2-1-3-7-11;/h1-3,6-7,12H,4-5,8-10,14H2,(H,15,16);1H2