4-methyl-2-[[4-[[(5-oxidanylidenepyrrolidin-2-yl)amino]methylsulfonylmethyl]-2-phenyl-phenyl]carbonylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[[4-[[(5-oxidanylidenepyrrolidin-2-yl)amino]methylsulfonylmethyl]-2-phenyl-phenyl]carbonylamino]pentanoic acid Openeye Name: 4-methyl-2-[[4-[[(5-oxopyrrolidin-2-yl)amino]methylsulfonylmethyl]-2-phenyl-benzoyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[oxo-[4-[[(5-oxo-2-pyrrolidinyl)amino]methylsulfonylmethyl]-2-phenylphenyl]methyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[4-[[(5-oxopyrrolidin-2-yl)amino]methylsulfonylmethyl]-2-phenylbenzoyl]amino]pentanoic acid Traditional Name: 2-[[4-[[(5-ketopyrrolidin-2-yl)amino]methylsulfonylmethyl]-2-phenyl-benzoyl]amino]-4-methyl-valeric acid Formula: C25H31N3O6S MolecularWeight: 501.59514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CS(=O)(=O)CNC2CCC(=O)N2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CS(=O)(=O)CNC2CCC(=O)N2)C3=CC=CC=C3

InChI

InChI=1S/C25H31N3O6S/c1-16(2)12-21(25(31)32)27-24(30)19-9-8-17(13-20(19)18-6-4-3-5-7-18)14-35(33,34)15-26-22-10-11-23(29)28-22/h3-9,13,16,21-22,26H,10-12,14-15H2,1-2H3,(H,27,30)(H,28,29)(H,31,32)