(2R,3R,4S)-3-(4-methylphenyl)sulfanyl-4-(2-methylpropyl)-5-oxidanylidene-2-phenyl-1-propan-2-yl-pyrrolidine-3-carboxylic acid

Systemtic Name: (2R,3R,4S)-3-(4-methylphenyl)sulfanyl-4-(2-methylpropyl)-5-oxidanylidene-2-phenyl-1-propan-2-yl-pyrrolidine-3-carboxylic acid Openeye Name: (2R,3R,4S)-4-isobutyl-1-isopropyl-5-oxo-2-phenyl-3-(p-tolylsulfanyl)pyrrolidine-3-carboxylic acid CAS Name: (2R,3R,4S)-3-[(4-methylphenyl)thio]-4-(2-methylpropyl)-5-oxo-2-phenyl-1-propan-2-yl-3-pyrrolidinecarboxylic acid IUPAC Name: (2R,3R,4S)-3-(4-methylphenyl)sulfanyl-4-(2-methylpropyl)-5-oxo-2-phenyl-1-propan-2-ylpyrrolidine-3-carboxylic acid Traditional Name: (2R,3R,4S)-4-isobutyl-1-isopropyl-5-keto-2-phenyl-3-(p-tolylthio)pyrrolidine-3-carboxylic acid Formula: C25H31NO3S MolecularWeight: 425.58354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2(C(C(=O)N(C2C3=CC=CC=C3)C(C)C)CC(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S[C@@]2([C@H](C(=O)N([C@@H]2C3=CC=CC=C3)C(C)C)CC(C)C)C(=O)O

InChI

InChI=1S/C25H31NO3S/c1-16(2)15-21-23(27)26(17(3)4)22(19-9-7-6-8-10-19)25(21,24(28)29)30-20-13-11-18(5)12-14-20/h6-14,16-17,21-22H,15H2,1-5H3,(H,28,29)/t21-,22+,25+/m0/s1