methyl 4-methyl-2-[2-[(4-phenylphenyl)sulfonylamino]ethanoylamino]pentanoate

Systemtic Name: methyl 4-methyl-2-[2-[(4-phenylphenyl)sulfonylamino]ethanoylamino]pentanoate Openeye Name: methyl 4-methyl-2-[[2-[(4-phenylphenyl)sulfonylamino]acetyl]amino]pentanoate CAS Name: 4-methyl-2-[[1-oxo-2-[(4-phenylphenyl)sulfonylamino]ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[2-[(4-phenylphenyl)sulfonylamino]acetyl]amino]pentanoate Traditional Name: 4-methyl-2-[[2-[(4-phenylphenyl)sulfonylamino]acetyl]amino]valeric acid methyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CNS(=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)CNS(=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O5S/c1-15(2)13-19(21(25)28-3)23-20(24)14-22-29(26,27)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,15,19,22H,13-14H2,1-3H3,(H,23,24)