2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-2-phenylazanyl-pentanedioic acid

Systemtic Name: 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-2-phenylazanyl-pentanedioic acid Openeye Name: 2-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-2-anilino-pentanedioic acid CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-2-anilinopentanedioic acid IUPAC Name: 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-2-anilinopentanedioic acid Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-2-anilino-glutaric acid Formula: C23H26N2O6S MolecularWeight: 458.52734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)O)(C(=O)O)NC2=CC=CC=C2

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)O)(C(=O)O)NC2=CC=CC=C2

InChI

InChI=1S/C23H26N2O6S/c1-16(26)32-15-18(14-17-8-4-2-5-9-17)21(29)25-23(22(30)31,13-12-20(27)28)24-19-10-6-3-7-11-19/h2-11,18,24H,12-15H2,1H3,(H,25,29)(H,27,28)(H,30,31)