2-[[(2S)-1-(4-methylphenyl)sulfonyl-4-oxidanyl-pyrrolidin-2-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[(2S)-1-(4-methylphenyl)sulfonyl-4-oxidanyl-pyrrolidin-2-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[(2S)-4-hydroxy-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]acetic acid CAS Name: 2-[[[(2S)-4-hydroxy-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[(2S)-4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetic acid Traditional Name: 2-[[(2S)-4-hydroxy-1-tosyl-prolyl]amino]acetic acid Formula: C14H18N2O6S MolecularWeight: 342.36752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)NCC(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C[C@H]2C(=O)NCC(=O)O)O

InChI

InChI=1S/C14H18N2O6S/c1-9-2-4-11(5-3-9)23(21,22)16-8-10(17)6-12(16)14(20)15-7-13(18)19/h2-5,10,12,17H,6-8H2,1H3,(H,15,20)(H,18,19)/t10?,12-/m0/s1