2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-phenylsulfanyl-propanoic acid

Systemtic Name: 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-phenylsulfanyl-propanoic acid Openeye Name: 2-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-phenylsulfanyl-propanoic acid CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-3-(phenylthio)propanoic acid IUPAC Name: 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-3-phenylsulfanylpropanoic acid Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-3-(phenylthio)propionic acid Formula: C21H23NO4S2 MolecularWeight: 417.54162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC(CSC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC(CSC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H23NO4S2/c1-15(23)27-13-17(12-16-8-4-2-5-9-16)20(24)22-19(21(25)26)14-28-18-10-6-3-7-11-18/h2-11,17,19H,12-14H2,1H3,(H,22,24)(H,25,26)