2-[4-methyl-2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)carbonylamino]pentyl]sulfonylethanoic acid

Systemtic Name: 2-[4-methyl-2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)carbonylamino]pentyl]sulfonylethanoic acid Openeye Name: 2-[2-[(1-benzyloxycarbonylpyrrolidine-2-carbonyl)amino]-4-methyl-pentyl]sulfonylacetic acid CAS Name: 2-[4-methyl-2-[[oxo-(1-phenylmethoxycarbonyl-2-pyrrolidinyl)methyl]amino]pentyl]sulfonylacetic acid IUPAC Name: 2-[4-methyl-2-[(1-phenylmethoxycarbonylpyrrolidine-2-carbonyl)amino]pentyl]sulfonylacetic acid Traditional Name: 2-[2-[(1-carbobenzoxyprolyl)amino]-4-methyl-pentyl]sulfonylacetic acid Formula: C21H30N2O7S MolecularWeight: 454.5371

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CS(=O)(=O)CC(=O)O)NC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(CS(=O)(=O)CC(=O)O)NC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H30N2O7S/c1-15(2)11-17(13-31(28,29)14-19(24)25)22-20(26)18-9-6-10-23(18)21(27)30-12-16-7-4-3-5-8-16/h3-5,7-8,15,17-18H,6,9-14H2,1-2H3,(H,22,26)(H,24,25)