6-azanyl-2-(2-phenylethanethioylamino)hexanoic acid

Systemtic Name: 6-azanyl-2-(2-phenylethanethioylamino)hexanoic acid Openeye Name: 6-amino-2-[(2-phenylethanethioyl)amino]hexanoic acid CAS Name: 6-amino-2-[(2-phenyl-1-sulfanylideneethyl)amino]hexanoic acid IUPAC Name: 6-amino-2-[(2-phenylethanethioyl)amino]hexanoic acid Traditional Name: 6-amino-2-[(2-phenylthioacetyl)amino]hexanoic acid Formula: C14H20N2O2S MolecularWeight: 280.3858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=S)NC(CCCCN)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(=S)NC(CCCCN)C(=O)O

InChI

InChI=1S/C14H20N2O2S/c15-9-5-4-8-12(14(17)18)16-13(19)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,15H2,(H,16,19)(H,17,18)