2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-4-phenyl-butanoic acid

Systemtic Name: 2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-4-phenyl-butanoic acid Openeye Name: 4-phenyl-2-[[(2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]butanoic acid CAS Name: 2-[[[(2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-4-phenylbutanoic acid Traditional Name: 4-phenyl-2-[[(2S)-1-tosylprolyl]amino]butyric acid Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NC(CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H26N2O5S/c1-16-9-12-18(13-10-16)30(28,29)24-15-5-8-20(24)21(25)23-19(22(26)27)14-11-17-6-3-2-4-7-17/h2-4,6-7,9-10,12-13,19-20H,5,8,11,14-15H2,1H3,(H,23,25)(H,26,27)/t19?,20-/m0/s1