N-[(2R)-1-[[1-(butylsulfonylamino)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-[4-(1,2-oxazol-5-yl)phenyl]-1-oxidanylidene-propan-2-yl]-N,3,5-trimethyl-benzamide

Systemtic Name: N-[(2R)-1-[[1-(butylsulfonylamino)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-[4-(1,2-oxazol-5-yl)phenyl]-1-oxidanylidene-propan-2-yl]-N,3,5-trimethyl-benzamide Openeye Name: N-[(1R)-2-[[1-(butylsulfonylcarbamoyl)-2-hydroxy-propyl]amino]-1-[(4-isoxazol-5-ylphenyl)methyl]-2-oxo-ethyl]-N,3,5-trimethyl-benzamide CAS Name: N-[(2R)-1-[[1-(butylsulfonylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-3-[4-(5-isoxazolyl)phenyl]-1-oxopropan-2-yl]-N,3,5-trimethylbenzamide IUPAC Name: N-[(2R)-1-[[1-(butylsulfonylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-3-[4-(1,2-oxazol-5-yl)phenyl]-1-oxopropan-2-yl]-N,3,5-trimethylbenzamide Traditional Name: N-[(1R)-2-[[1-(butylsulfonylcarbamoyl)-2-hydroxy-propyl]amino]-1-(4-isoxazol-5-ylbenzyl)-2-keto-ethyl]-N,3,5-trimethyl-benzamide Formula: C30H38N4O7S MolecularWeight: 598.71032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(=O)C(C(C)O)NC(=O)C(CC1=CC=C(C=C1)C2=CC=NO2)N(C)C(=O)C3=CC(=CC(=C3)C)C

Isomeric SMILES

CCCCS(=O)(=O)NC(=O)C(C(C)O)NC(=O)[C@@H](CC1=CC=C(C=C1)C2=CC=NO2)N(C)C(=O)C3=CC(=CC(=C3)C)C

InChI

InChI=1S/C30H38N4O7S/c1-6-7-14-42(39,40)33-29(37)27(21(4)35)32-28(36)25(34(5)30(38)24-16-19(2)15-20(3)17-24)18-22-8-10-23(11-9-22)26-12-13-31-41-26/h8-13,15-17,21,25,27,35H,6-7,14,18H2,1-5H3,(H,32,36)(H,33,37)/t21?,25-,27?/m1/s1