(2S)-2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]hexanoic acid

Systemtic Name: (2S)-2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]hexanoic acid Openeye Name: (2S)-2-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]hexanoic acid CAS Name: (2S)-2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]hexanoic acid IUPAC Name: (2S)-2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]hexanoic acid Traditional Name: (2S)-2-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]hexanoic acid Formula: C18H25NO4S MolecularWeight: 351.4604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO4S/c1-3-4-10-16(18(22)23)19-17(21)15(12-24-13(2)20)11-14-8-6-5-7-9-14/h5-9,15-16H,3-4,10-12H2,1-2H3,(H,19,21)(H,22,23)/t15?,16-/m0/s1