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

Systemtic Name: (2S)-2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: (2S)-2-[[(2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]-3-(2-thienyl)propanoic acid CAS Name: (2S)-2-[[[(2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: (2S)-2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: (2S)-3-(2-thienyl)-2-[[(2S)-1-tosylprolyl]amino]propionic acid Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CC=CS3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CS3)C(=O)O

InChI

InChI=1S/C19H22N2O5S2/c1-13-6-8-15(9-7-13)28(25,26)21-10-2-5-17(21)18(22)20-16(19(23)24)12-14-4-3-11-27-14/h3-4,6-9,11,16-17H,2,5,10,12H2,1H3,(H,20,22)(H,23,24)/t16-,17-/m0/s1