4-[2-[(4-ethanoylsulfanyl-1-naphthalen-1-ylsulfonyl-pyrrolidin-2-yl)carbonyl-methyl-amino]ethanoyl-methyl-amino]benzoic acid

Systemtic Name: 4-[2-[(4-ethanoylsulfanyl-1-naphthalen-1-ylsulfonyl-pyrrolidin-2-yl)carbonyl-methyl-amino]ethanoyl-methyl-amino]benzoic acid Openeye Name: 4-[[2-[[4-acetylsulfanyl-1-(1-naphthylsulfonyl)pyrrolidine-2-carbonyl]-methyl-amino]acetyl]-methyl-amino]benzoic acid CAS Name: 4-[[2-[[[4-(acetylthio)-1-(1-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]-methylamino]-1-oxoethyl]-methylamino]benzoic acid IUPAC Name: 4-[[2-[(4-acetylsulfanyl-1-naphthalen-1-ylsulfonylpyrrolidine-2-carbonyl)-methylamino]acetyl]-methylamino]benzoic acid Traditional Name: 4-[[2-[[4-(acetylthio)-1-(1-naphthylsulfonyl)prolyl]-methyl-amino]acetyl]-methyl-amino]benzoic acid Formula: C28H29N3O7S2 MolecularWeight: 583.67576

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)S(=O)(=O)C2=CC=CC3=CC=CC=C32)C(=O)N(C)CC(=O)N(C)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC(=O)SC1CC(N(C1)S(=O)(=O)C2=CC=CC3=CC=CC=C32)C(=O)N(C)CC(=O)N(C)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C28H29N3O7S2/c1-18(32)39-22-15-24(31(16-22)40(37,38)25-10-6-8-19-7-4-5-9-23(19)25)27(34)29(2)17-26(33)30(3)21-13-11-20(12-14-21)28(35)36/h4-14,22,24H,15-17H2,1-3H3,(H,35,36)