(2S,4R)-2-butyl-4-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]-6-[4-(4-methylsulfinylphenyl)phenyl]hexanoic acid

Systemtic Name: (2S,4R)-2-butyl-4-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]-6-[4-(4-methylsulfinylphenyl)phenyl]hexanoic acid Openeye Name: (2S,4R)-2-butyl-4-[[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl]-6-[4-(4-methylsulfinylphenyl)phenyl]hexanoic acid CAS Name: (2S,4R)-2-butyl-4-[[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]amino]-oxomethyl]-6-[4-(4-methylsulfinylphenyl)phenyl]hexanoic acid IUPAC Name: (2S,4R)-2-butyl-4-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]-6-[4-(4-methylsulfinylphenyl)phenyl]hexanoic acid Traditional Name: (2S,4R)-2-butyl-4-[[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl]-6-[4-(4-methylsulfinylphenyl)phenyl]hexanoic acid Formula: C31H44N2O5S MolecularWeight: 556.75646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(CCC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)C)C(=O)NC(C(=O)NC)C(C)(C)C)C(=O)O

Isomeric SMILES

CCCC[C@@H](C[C@@H](CCC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)C)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O

InChI

InChI=1S/C31H44N2O5S/c1-7-8-9-25(30(36)37)20-24(28(34)33-27(29(35)32-5)31(2,3)4)15-12-21-10-13-22(14-11-21)23-16-18-26(19-17-23)39(6)38/h10-11,13-14,16-19,24-25,27H,7-9,12,15,20H2,1-6H3,(H,32,35)(H,33,34)(H,36,37)/t24-,25+,27-,39?/m1/s1