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

Systemtic Name: 2-[(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]-3-(4-phenylmethoxyphenyl)propanoic acid Openeye Name: 3-(4-benzyloxyphenyl)-2-[[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 2-[[[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid IUPAC Name: 2-[(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]-3-(4-phenylmethoxyphenyl)propanoic acid Traditional Name: 3-(4-benzoxyphenyl)-2-[[4-mercapto-1-(2-naphthylsulfonyl)prolyl]amino]propionic acid Formula: C31H30N2O6S2 MolecularWeight: 590.7097

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NC(CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)S

Isomeric SMILES

C1C(CN(C1C(=O)NC(CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)S

InChI

InChI=1S/C31H30N2O6S2/c34-30(29-18-26(40)19-33(29)41(37,38)27-15-12-23-8-4-5-9-24(23)17-27)32-28(31(35)36)16-21-10-13-25(14-11-21)39-20-22-6-2-1-3-7-22/h1-15,17,26,28-29,40H,16,18-20H2,(H,32,34)(H,35,36)