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

Systemtic Name: 3-(4-ethoxyphenyl)-2-[(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]propanoic acid Openeye Name: 3-(4-ethoxyphenyl)-2-[[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-(4-ethoxyphenyl)-2-[[[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-ethoxyphenyl)-2-[(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]propanoic acid Traditional Name: 2-[[4-mercapto-1-(2-naphthylsulfonyl)prolyl]amino]-3-p-phenetyl-propionic acid Formula: C26H28N2O6S2 MolecularWeight: 528.64032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C26H28N2O6S2/c1-2-34-20-10-7-17(8-11-20)13-23(26(30)31)27-25(29)24-15-21(35)16-28(24)36(32,33)22-12-9-18-5-3-4-6-19(18)14-22/h3-12,14,21,23-24,35H,2,13,15-16H2,1H3,(H,27,29)(H,30,31)