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

Systemtic Name: 2-[(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]pent-4-enoic acid Openeye Name: 2-[[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]pent-4-enoic acid CAS Name: 2-[[[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]-4-pentenoic acid IUPAC Name: 2-[(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]pent-4-enoic acid Traditional Name: 2-[[4-mercapto-1-(2-naphthylsulfonyl)prolyl]amino]pent-4-enoic acid Formula: C20H22N2O5S2 MolecularWeight: 434.52908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S2/c1-2-5-17(20(24)25)21-19(23)18-11-15(28)12-22(18)29(26,27)16-9-8-13-6-3-4-7-14(13)10-16/h2-4,6-10,15,17-18,28H,1,5,11-12H2,(H,21,23)(H,24,25)