(2S)-2-[[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]-2-phenyl-ethanoic acid

Systemtic Name: (2S)-2-[[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]-2-phenyl-ethanoic acid Openeye Name: (2S)-2-phenyl-2-[[(3S)-1-(p-tolylsulfonyl)piperidine-3-carbonyl]amino]acetic acid CAS Name: (2S)-2-[[[(3S)-1-(4-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-2-phenylacetic acid IUPAC Name: (2S)-2-[[(3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]-2-phenylacetic acid Traditional Name: (2S)-2-phenyl-2-[[(3S)-1-tosylnipecotoyl]amino]acetic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)N[C@@H](C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H24N2O5S/c1-15-9-11-18(12-10-15)29(27,28)23-13-5-8-17(14-23)20(24)22-19(21(25)26)16-6-3-2-4-7-16/h2-4,6-7,9-12,17,19H,5,8,13-14H2,1H3,(H,22,24)(H,25,26)/t17-,19-/m0/s1