(2S)-2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-naphthalen-1-yl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-naphthalen-1-yl-propanoic acid Openeye Name: (2S)-3-(1-naphthyl)-2-[[(2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: (2S)-2-[[[(2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-(1-naphthalenyl)propanoic acid IUPAC Name: (2S)-2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-naphthalen-1-ylpropanoic acid Traditional Name: (2S)-3-(1-naphthyl)-2-[[(2S)-1-tosylprolyl]amino]propionic acid Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CC=CC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC4=CC=CC=C43)C(=O)O

InChI

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