4-[2-[[4-ethanoylsulfanyl-1-[(E)-2-phenylethenyl]sulfonyl-pyrrolidin-2-yl]carbonyl-methyl-amino]ethanoyl-methyl-amino]benzoic acid

Systemtic Name: 4-[2-[[4-ethanoylsulfanyl-1-[(E)-2-phenylethenyl]sulfonyl-pyrrolidin-2-yl]carbonyl-methyl-amino]ethanoyl-methyl-amino]benzoic acid Openeye Name: 4-[[2-[[4-acetylsulfanyl-1-[(E)-styryl]sulfonyl-pyrrolidine-2-carbonyl]-methyl-amino]acetyl]-methyl-amino]benzoic acid CAS Name: 4-[[2-[[[4-(acetylthio)-1-[(E)-2-phenylethenyl]sulfonyl-2-pyrrolidinyl]-oxomethyl]-methylamino]-1-oxoethyl]-methylamino]benzoic acid IUPAC Name: 4-[[2-[[4-acetylsulfanyl-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine-2-carbonyl]-methylamino]acetyl]-methylamino]benzoic acid Traditional Name: 4-[[2-[[4-(acetylthio)-1-[(E)-styryl]sulfonyl-prolyl]-methyl-amino]acetyl]-methyl-amino]benzoic acid Formula: C26H29N3O7S2 MolecularWeight: 559.65436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)S(=O)(=O)C=CC2=CC=CC=C2)C(=O)N(C)CC(=O)N(C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(=O)SC1CC(N(C1)S(=O)(=O)/C=C/C2=CC=CC=C2)C(=O)N(C)CC(=O)N(C)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C26H29N3O7S2/c1-18(30)37-22-15-23(29(16-22)38(35,36)14-13-19-7-5-4-6-8-19)25(32)27(2)17-24(31)28(3)21-11-9-20(10-12-21)26(33)34/h4-14,22-23H,15-17H2,1-3H3,(H,33,34)/b14-13+