tert-butyl (2S,4R)-2-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl]-4-phenyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,4R)-2-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl]-4-phenyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,4R)-2-[[(1S)-1-methoxycarbonyl-3-methylsulfanyl-propyl]carbamoyl]-4-phenyl-pyrrolidine-1-carboxylate CAS Name: (2S,4R)-2-[[[(2S)-1-methoxy-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]-4-phenyl-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4R)-2-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]carbamoyl]-4-phenylpyrrolidine-1-carboxylate Traditional Name: (2S,4R)-2-[[(1S)-1-carbomethoxy-3-(methylthio)propyl]carbamoyl]-4-phenyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H32N2O5S MolecularWeight: 436.56488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)NC(CCSC)C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](CCSC)C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C22H32N2O5S/c1-22(2,3)29-21(27)24-14-16(15-9-7-6-8-10-15)13-18(24)19(25)23-17(11-12-30-5)20(26)28-4/h6-10,16-18H,11-14H2,1-5H3,(H,23,25)/t16-,17-,18-/m0/s1