(2S)-2-azanyl-3-methyl-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-azanyl-3-methyl-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanyl-butanoic acid Openeye Name: (2S)-2-amino-3-methyl-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanyl-butanoic acid CAS Name: (2S)-2-amino-3-[[[2-[anilino(oxo)methyl]phenyl]seleno]thio]-3-methylbutanoic acid IUPAC Name: (2S)-2-amino-3-methyl-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanylbutanoic acid Traditional Name: (2S)-2-amino-3-methyl-3-[[[2-(phenylcarbamoyl)phenyl]seleno]thio]butyric acid Formula: C18H20N2O3SSe MolecularWeight: 423.388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)N)S[Se]C1=CC=CC=C1C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)([C@H](C(=O)O)N)S[Se]C1=CC=CC=C1C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O3SSe/c1-18(2,15(19)17(22)23)24-25-14-11-7-6-10-13(14)16(21)20-12-8-4-3-5-9-12/h3-11,15H,19H2,1-2H3,(H,20,21)(H,22,23)/t15-/m0/s1