methyl 3-ethanoylsulfanyl-2-[[phenethyl(3-pyridin-4-ylpropyl)carbamoyl]amino]propanoate

Systemtic Name: methyl 3-ethanoylsulfanyl-2-[[phenethyl(3-pyridin-4-ylpropyl)carbamoyl]amino]propanoate Openeye Name: methyl 3-acetylsulfanyl-2-[[phenethyl-[3-(4-pyridyl)propyl]carbamoyl]amino]propanoate CAS Name: 3-(acetylthio)-2-[[oxo-[phenethyl(3-pyridin-4-ylpropyl)amino]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-acetylsulfanyl-2-[[phenethyl(3-pyridin-4-ylpropyl)carbamoyl]amino]propanoate Traditional Name: 3-(acetylthio)-2-[[phenethyl-[3-(4-pyridyl)propyl]carbamoyl]amino]propionic acid methyl ester Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C(=O)OC)NC(=O)N(CCCC1=CC=NC=C1)CCC2=CC=CC=C2

Isomeric SMILES

CC(=O)SCC(C(=O)OC)NC(=O)N(CCCC1=CC=NC=C1)CCC2=CC=CC=C2

InChI

InChI=1S/C23H29N3O4S/c1-18(27)31-17-21(22(28)30-2)25-23(29)26(16-12-19-7-4-3-5-8-19)15-6-9-20-10-13-24-14-11-20/h3-5,7-8,10-11,13-14,21H,6,9,12,15-17H2,1-2H3,(H,25,29)