2-[(4-ethanoylsulfanyl-1-naphthalen-2-ylsulfonyl-pyrrolidin-2-yl)carbonyl-phenethyl-amino]ethanoic acid

Systemtic Name: 2-[(4-ethanoylsulfanyl-1-naphthalen-2-ylsulfonyl-pyrrolidin-2-yl)carbonyl-phenethyl-amino]ethanoic acid Openeye Name: 2-[[4-acetylsulfanyl-1-(2-naphthylsulfonyl)pyrrolidine-2-carbonyl]-phenethyl-amino]acetic acid CAS Name: 2-[[[4-(acetylthio)-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]-phenethylamino]acetic acid IUPAC Name: 2-[(4-acetylsulfanyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl)-phenethylamino]acetic acid Traditional Name: 2-[[4-(acetylthio)-1-(2-naphthylsulfonyl)prolyl]-phenethyl-amino]acetic acid Formula: C27H28N2O6S2 MolecularWeight: 540.65102

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)N(CCC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

CC(=O)SC1CC(N(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)N(CCC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C27H28N2O6S2/c1-19(30)36-23-16-25(27(33)28(18-26(31)32)14-13-20-7-3-2-4-8-20)29(17-23)37(34,35)24-12-11-21-9-5-6-10-22(21)15-24/h2-12,15,23,25H,13-14,16-18H2,1H3,(H,31,32)