2-[3-methylbutyl-(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonyl-amino]ethanoic acid

Systemtic Name: 2-[3-methylbutyl-(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonyl-amino]ethanoic acid Openeye Name: 2-[isopentyl-[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]acetic acid CAS Name: 2-[[[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]-(3-methylbutyl)amino]acetic acid IUPAC Name: 2-[3-methylbutyl-(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]acetic acid Traditional Name: 2-[isoamyl-[4-mercapto-1-(2-naphthylsulfonyl)prolyl]amino]acetic acid Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC(=O)O)C(=O)C1CC(CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)S

Isomeric SMILES

CC(C)CCN(CC(=O)O)C(=O)C1CC(CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)S

InChI

InChI=1S/C22H28N2O5S2/c1-15(2)9-10-23(14-21(25)26)22(27)20-12-18(30)13-24(20)31(28,29)19-8-7-16-5-3-4-6-17(16)11-19/h3-8,11,15,18,20,30H,9-10,12-14H2,1-2H3,(H,25,26)