3-[[(2S)-1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[(2S)-1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[(2S)-1-(4-chloro-2,5-dimethyl-phenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[(2S)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[(2S)-1-(4-chloro-2,5-dimethylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[(2S)-1-(4-chloro-2,5-dimethyl-phenyl)sulfonylprolyl]amino]propionic acid Formula: C16H21ClN2O5S MolecularWeight: 388.86634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCCC2C(=O)NCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCC[C@H]2C(=O)NCCC(=O)O

InChI

InChI=1S/C16H21ClN2O5S/c1-10-9-14(11(2)8-12(10)17)25(23,24)19-7-3-4-13(19)16(22)18-6-5-15(20)21/h8-9,13H,3-7H2,1-2H3,(H,18,22)(H,20,21)/t13-/m0/s1