(2S)-2-[[(2S)-1-methylsulfonylpyrrolidin-2-yl]carbonylamino]-3-(4-naphthalen-1-ylphenyl)propanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-methylsulfonylpyrrolidin-2-yl]carbonylamino]-3-(4-naphthalen-1-ylphenyl)propanoic acid Openeye Name: (2S)-2-[[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]-3-[4-(1-naphthyl)phenyl]propanoic acid CAS Name: (2S)-2-[[[(2S)-1-methylsulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-[4-(1-naphthalenyl)phenyl]propanoic acid IUPAC Name: (2S)-2-[[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]-3-(4-naphthalen-1-ylphenyl)propanoic acid Traditional Name: (2S)-2-[[(2S)-1-mesylprolyl]amino]-3-[4-(1-naphthyl)phenyl]propionic acid Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC1C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)C3=CC=CC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C25H26N2O5S/c1-33(31,32)27-15-5-10-23(27)24(28)26-22(25(29)30)16-17-11-13-19(14-12-17)21-9-4-7-18-6-2-3-8-20(18)21/h2-4,6-9,11-14,22-23H,5,10,15-16H2,1H3,(H,26,28)(H,29,30)/t22-,23-/m0/s1