6-oxidanylidene-6-[(1-phenyl-3-sulfanyl-propan-2-yl)amino]hexanoic acid

Systemtic Name: 6-oxidanylidene-6-[(1-phenyl-3-sulfanyl-propan-2-yl)amino]hexanoic acid Openeye Name: 6-[(1-benzyl-2-sulfanyl-ethyl)amino]-6-oxo-hexanoic acid CAS Name: 6-[(1-mercapto-3-phenylpropan-2-yl)amino]-6-oxohexanoic acid IUPAC Name: 6-oxo-6-[(1-phenyl-3-sulfanylpropan-2-yl)amino]hexanoic acid Traditional Name: 6-[(1-benzyl-2-mercapto-ethyl)amino]-6-keto-hexanoic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)NC(=O)CCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)NC(=O)CCCCC(=O)O

InChI

InChI=1S/C15H21NO3S/c17-14(8-4-5-9-15(18)19)16-13(11-20)10-12-6-2-1-3-7-12/h1-3,6-7,13,20H,4-5,8-11H2,(H,16,17)(H,18,19)