2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-4-phenylazanyl-pentanedioic acid

Systemtic Name: 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-4-phenylazanyl-pentanedioic acid Openeye Name: 2-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-4-anilino-pentanedioic acid CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-4-anilinopentanedioic acid IUPAC Name: 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-4-anilinopentanedioic acid Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-4-anilino-glutaric acid Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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