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

Systemtic Name: 3-(4-hydroxyphenyl)-2-[(1-naphthalen-1-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[[1-(1-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[[4-mercapto-1-(1-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[(1-naphthalen-1-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[[4-mercapto-1-(1-naphthylsulfonyl)prolyl]amino]propionic acid Formula: C24H24N2O6S2 MolecularWeight: 500.58716

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)S(=O)(=O)C3=CC=CC4=CC=CC=C43)S

Isomeric SMILES

C1C(CN(C1C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)S(=O)(=O)C3=CC=CC4=CC=CC=C43)S

InChI

InChI=1S/C24H24N2O6S2/c27-17-10-8-15(9-11-17)12-20(24(29)30)25-23(28)21-13-18(33)14-26(21)34(31,32)22-7-3-5-16-4-1-2-6-19(16)22/h1-11,18,20-21,27,33H,12-14H2,(H,25,28)(H,29,30)