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

Systemtic Name: (2S)-2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: (2S)-2-[[(2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: (2S)-2-[[[(2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: (2S)-2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: (2S)-3-(3-pyridyl)-2-[[(2S)-1-tosylprolyl]amino]propionic acid Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CN=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C20H23N3O5S/c1-14-6-8-16(9-7-14)29(27,28)23-11-3-5-18(23)19(24)22-17(20(25)26)12-15-4-2-10-21-13-15/h2,4,6-10,13,17-18H,3,5,11-12H2,1H3,(H,22,24)(H,25,26)/t17-,18-/m0/s1