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

Systemtic Name: 2-azanyl-3-[2-[(4-ethoxycarbonylphenyl)carbamoyl]phenyl]selanylsulfanyl-3-methyl-butanoic acid Openeye Name: 2-amino-3-[2-[(4-ethoxycarbonylphenyl)carbamoyl]phenyl]selanylsulfanyl-3-methyl-butanoic acid CAS Name: 2-amino-3-[[[2-[(4-ethoxycarbonylanilino)-oxomethyl]phenyl]seleno]thio]-3-methylbutanoic acid IUPAC Name: 2-amino-3-[2-[(4-ethoxycarbonylphenyl)carbamoyl]phenyl]selanylsulfanyl-3-methylbutanoic acid Traditional Name: 2-amino-3-[[[2-[(4-carbethoxyphenyl)carbamoyl]phenyl]seleno]thio]-3-methyl-butyric acid Formula: C21H24N2O5SSe MolecularWeight: 495.45066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2[Se]SC(C)(C)C(C(=O)O)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2[Se]SC(C)(C)C(C(=O)O)N

InChI

InChI=1S/C21H24N2O5SSe/c1-4-28-20(27)13-9-11-14(12-10-13)23-18(24)15-7-5-6-8-16(15)30-29-21(2,3)17(22)19(25)26/h5-12,17H,4,22H2,1-3H3,(H,23,24)(H,25,26)