2-[3-ethanoylsulfanylpropanoyl(methyl)amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[3-ethanoylsulfanylpropanoyl(methyl)amino]-3-phenyl-propanoic acid Openeye Name: 2-[3-acetylsulfanylpropanoyl(methyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[3-(acetylthio)-1-oxopropyl]-methylamino]-3-phenylpropanoic acid IUPAC Name: 2-[3-acetylsulfanylpropanoyl(methyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[3-(acetylthio)propanoyl-methyl-amino]-3-phenyl-propionic acid Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N(C)C(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(=O)SCCC(=O)N(C)C(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C15H19NO4S/c1-11(17)21-9-8-14(18)16(2)13(15(19)20)10-12-6-4-3-5-7-12/h3-7,13H,8-10H2,1-2H3,(H,19,20)