2-[[2-ethanoylsulfanylethyl-[2-(4-phenylphenyl)ethyl]carbamoyl]amino]propanoic acid

Systemtic Name: 2-[[2-ethanoylsulfanylethyl-[2-(4-phenylphenyl)ethyl]carbamoyl]amino]propanoic acid Openeye Name: 2-[[2-acetylsulfanylethyl-[2-(4-phenylphenyl)ethyl]carbamoyl]amino]propanoic acid CAS Name: 2-[[[2-(acetylthio)ethyl-[2-(4-phenylphenyl)ethyl]amino]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[2-acetylsulfanylethyl-[2-(4-phenylphenyl)ethyl]carbamoyl]amino]propanoic acid Traditional Name: 2-[[2-(acetylthio)ethyl-[2-(4-phenylphenyl)ethyl]carbamoyl]amino]propionic acid Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)N(CCC1=CC=C(C=C1)C2=CC=CC=C2)CCSC(=O)C

Isomeric SMILES

CC(C(=O)O)NC(=O)N(CCC1=CC=C(C=C1)C2=CC=CC=C2)CCSC(=O)C

InChI

InChI=1S/C22H26N2O4S/c1-16(21(26)27)23-22(28)24(14-15-29-17(2)25)13-12-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3,(H,23,28)(H,26,27)