3-[(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]propanoic acid

Systemtic Name: 3-[(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]propanoic acid Openeye Name: 3-[[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]propanoic acid Traditional Name: 3-[[4-mercapto-1-(2-naphthylsulfonyl)prolyl]amino]propionic acid Formula: C18H20N2O5S2 MolecularWeight: 408.4918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5S2/c21-17(22)7-8-19-18(23)16-10-14(26)11-20(16)27(24,25)15-6-5-12-3-1-2-4-13(12)9-15/h1-6,9,14,16,26H,7-8,10-11H2,(H,19,23)(H,21,22)