3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-oxidanylidene-propanoic acid Openeye Name: 2-[(tert-butoxycarbonylamino)methyl]-3-oxo-3-[1-(p-tolylsulfonyl)pyrrolidin-2-yl]propanoic acid CAS Name: 3-[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-3-oxopropanoic acid IUPAC Name: 3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-oxopropanoic acid Traditional Name: 2-[(tert-butoxycarbonylamino)methyl]-3-keto-3-(1-tosylpyrrolidin-2-yl)propionic acid Formula: C20H28N2O7S MolecularWeight: 440.51052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)C(CNC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)C(CNC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C20H28N2O7S/c1-13-7-9-14(10-8-13)30(27,28)22-11-5-6-16(22)17(23)15(18(24)25)12-21-19(26)29-20(2,3)4/h7-10,15-16H,5-6,11-12H2,1-4H3,(H,21,26)(H,24,25)