3-methyl-4-[[4-[(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfamoyl-(pyridin-4-ylmethyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-methyl-4-[[4-[(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfamoyl-(pyridin-4-ylmethyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[1-benzyl-2-hydroxy-3-[(2-hydroxy-1,1-dimethyl-2-oxo-ethyl)sulfamoyl-(4-pyridylmethyl)amino]propyl]amino]-3-methyl-4-oxo-butanoic acid CAS Name: 4-[[3-hydroxy-4-[(1-hydroxy-2-methyl-1-oxopropan-2-yl)sulfamoyl-(pyridin-4-ylmethyl)amino]-1-phenylbutan-2-yl]amino]-3-methyl-4-oxobutanoic acid IUPAC Name: 4-[[3-hydroxy-4-[(1-hydroxy-2-methyl-1-oxopropan-2-yl)sulfamoyl-(pyridin-4-ylmethyl)amino]-1-phenylbutan-2-yl]amino]-3-methyl-4-oxobutanoic acid Traditional Name: 4-[[1-benzyl-2-hydroxy-3-[(2-hydroxy-2-keto-1,1-dimethyl-ethyl)sulfamoyl-(4-pyridylmethyl)amino]propyl]amino]-4-keto-3-methyl-butyric acid Formula: C25H34N4O8S MolecularWeight: 550.62446

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(CN(CC2=CC=NC=C2)S(=O)(=O)NC(C)(C)C(=O)O)O

Isomeric SMILES

CC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(CN(CC2=CC=NC=C2)S(=O)(=O)NC(C)(C)C(=O)O)O

InChI

InChI=1S/C25H34N4O8S/c1-17(13-22(31)32)23(33)27-20(14-18-7-5-4-6-8-18)21(30)16-29(15-19-9-11-26-12-10-19)38(36,37)28-25(2,3)24(34)35/h4-12,17,20-21,28,30H,13-16H2,1-3H3,(H,27,33)(H,31,32)(H,34,35)