[(2S)-1-oxidanylidene-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2R)-2-phenylbutyl]amino]ethyl] 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid [(2S)-1-oxo-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid [(1S)-2-keto-1-methyl-2-[[(2R)-2-phenylbutyl]amino]ethyl] ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)OC(=O)CCC(=O)C1=CC=C(S1)C)C2=CC=CC=C2

Isomeric SMILES

CC[C@@H](CNC(=O)[C@H](C)OC(=O)CCC(=O)C1=CC=C(S1)C)C2=CC=CC=C2

InChI

InChI=1S/C22H27NO4S/c1-4-17(18-8-6-5-7-9-18)14-23-22(26)16(3)27-21(25)13-11-19(24)20-12-10-15(2)28-20/h5-10,12,16-17H,4,11,13-14H2,1-3H3,(H,23,26)/t16-,17-/m0/s1