2-[(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]ethanoic acid Openeye Name: 2-[[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]acetic acid CAS Name: 2-[[[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]acetic acid Traditional Name: 2-[[4-mercapto-1-(2-naphthylsulfonyl)prolyl]amino]acetic acid Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NCC(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)S

Isomeric SMILES

C1C(CN(C1C(=O)NCC(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)S

InChI

InChI=1S/C17H18N2O5S2/c20-16(21)9-18-17(22)15-8-13(25)10-19(15)26(23,24)14-6-5-11-3-1-2-4-12(11)7-14/h1-7,13,15,25H,8-10H2,(H,18,22)(H,20,21)