(2S)-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]hexanoic acid

Systemtic Name: (2S)-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]hexanoic acid Openeye Name: (2S)-2-[(2-benzyl-3-sulfanyl-propanoyl)amino]hexanoic acid CAS Name: (2S)-2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]hexanoic acid IUPAC Name: (2S)-2-[(2-benzyl-3-sulfanylpropanoyl)amino]hexanoic acid Traditional Name: (2S)-2-[(2-benzyl-3-mercapto-propanoyl)amino]hexanoic acid Formula: C16H23NO3S MolecularWeight: 309.42372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)CS

Isomeric SMILES

CCCC[C@@H](C(=O)O)NC(=O)C(CC1=CC=CC=C1)CS

InChI

InChI=1S/C16H23NO3S/c1-2-3-9-14(16(19)20)17-15(18)13(11-21)10-12-7-5-4-6-8-12/h4-8,13-14,21H,2-3,9-11H2,1H3,(H,17,18)(H,19,20)/t13?,14-/m0/s1