4-[2-[(4-ethanoylsulfanylpyrrolidin-2-yl)carbonyl-methyl-amino]ethanoyl-methyl-amino]benzoic acid

Systemtic Name: 4-[2-[(4-ethanoylsulfanylpyrrolidin-2-yl)carbonyl-methyl-amino]ethanoyl-methyl-amino]benzoic acid Openeye Name: 4-[[2-[(4-acetylsulfanylpyrrolidine-2-carbonyl)-methyl-amino]acetyl]-methyl-amino]benzoic acid CAS Name: 4-[[2-[[[4-(acetylthio)-2-pyrrolidinyl]-oxomethyl]-methylamino]-1-oxoethyl]-methylamino]benzoic acid IUPAC Name: 4-[[2-[(4-acetylsulfanylpyrrolidine-2-carbonyl)-methylamino]acetyl]-methylamino]benzoic acid Traditional Name: 4-[[2-[[4-(acetylthio)prolyl]-methyl-amino]acetyl]-methyl-amino]benzoic acid Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(NC1)C(=O)N(C)CC(=O)N(C)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(=O)SC1CC(NC1)C(=O)N(C)CC(=O)N(C)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H23N3O5S/c1-11(22)27-14-8-15(19-9-14)17(24)20(2)10-16(23)21(3)13-6-4-12(5-7-13)18(25)26/h4-7,14-15,19H,8-10H2,1-3H3,(H,25,26)