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

Systemtic Name: 2-azanyl-3-[2-[(4-ethoxycarbonylphenyl)carbamoyl]phenyl]selanylsulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-[(4-ethoxycarbonylphenyl)carbamoyl]phenyl]selanylsulfanyl-propanoic acid CAS Name: 2-amino-3-[[[2-[(4-ethoxycarbonylanilino)-oxomethyl]phenyl]seleno]thio]propanoic acid IUPAC Name: 2-amino-3-[2-[(4-ethoxycarbonylphenyl)carbamoyl]phenyl]selanylsulfanylpropanoic acid Traditional Name: 2-amino-3-[[[2-[(4-carbethoxyphenyl)carbamoyl]phenyl]seleno]thio]propionic acid Formula: C19H20N2O5SSe MolecularWeight: 467.3975

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5SSe/c1-2-26-19(25)12-7-9-13(10-8-12)21-17(22)14-5-3-4-6-16(14)28-27-11-15(20)18(23)24/h3-10,15H,2,11,20H2,1H3,(H,21,22)(H,23,24)