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

Systemtic Name: 2-[(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonyl-phenethyl-amino]ethanoic acid Openeye Name: 2-[[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]-phenethyl-amino]acetic acid CAS Name: 2-[[[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]-phenethylamino]acetic acid IUPAC Name: 2-[(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)-phenethylamino]acetic acid Traditional Name: 2-[[4-mercapto-1-(2-naphthylsulfonyl)prolyl]-phenethyl-amino]acetic acid Formula: C25H26N2O5S2 MolecularWeight: 498.61434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)N(CCC2=CC=CC=C2)CC(=O)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

C1C(CN(C1C(=O)N(CCC2=CC=CC=C2)CC(=O)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C25H26N2O5S2/c28-24(29)17-26(13-12-18-6-2-1-3-7-18)25(30)23-15-21(33)16-27(23)34(31,32)22-11-10-19-8-4-5-9-20(19)14-22/h1-11,14,21,23,33H,12-13,15-17H2,(H,28,29)