(2S)-2-azanyl-3-methyl-3-[2-[(4-nitrophenyl)carbamoyl]phenyl]selanylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-azanyl-3-methyl-3-[2-[(4-nitrophenyl)carbamoyl]phenyl]selanylsulfanyl-butanoic acid Openeye Name: (2S)-2-amino-3-methyl-3-[2-[(4-nitrophenyl)carbamoyl]phenyl]selanylsulfanyl-butanoic acid CAS Name: (2S)-2-amino-3-methyl-3-[[[2-[(4-nitroanilino)-oxomethyl]phenyl]seleno]thio]butanoic acid IUPAC Name: (2S)-2-amino-3-methyl-3-[2-[(4-nitrophenyl)carbamoyl]phenyl]selanylsulfanylbutanoic acid Traditional Name: (2S)-2-amino-3-methyl-3-[[[2-[(4-nitrophenyl)carbamoyl]phenyl]seleno]thio]butyric acid Formula: C18H19N3O5SSe MolecularWeight: 468.38556

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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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5SSe/c1-18(2,15(19)17(23)24)27-28-14-6-4-3-5-13(14)16(22)20-11-7-9-12(10-8-11)21(25)26/h3-10,15H,19H2,1-2H3,(H,20,22)(H,23,24)/t15-/m0/s1