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

Systemtic Name: 2-[(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonyl-(phenylmethyl)amino]ethanoic acid Openeye Name: 2-[benzyl-[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]acetic acid CAS Name: 2-[[[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]-(phenylmethyl)amino]acetic acid IUPAC Name: 2-[benzyl-(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]acetic acid Traditional Name: 2-[benzyl-[4-mercapto-1-(2-naphthylsulfonyl)prolyl]amino]acetic acid Formula: C24H24N2O5S2 MolecularWeight: 484.58776

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)N(CC2=CC=CC=C2)CC(=O)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

C1C(CN(C1C(=O)N(CC2=CC=CC=C2)CC(=O)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C24H24N2O5S2/c27-23(28)16-25(14-17-6-2-1-3-7-17)24(29)22-13-20(32)15-26(22)33(30,31)21-11-10-18-8-4-5-9-19(18)12-21/h1-12,20,22,32H,13-16H2,(H,27,28)