tert-butyl (2S)-2-[[(2S)-3-methyl-1-phenylsulfanyl-butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[[(2S)-3-methyl-1-phenylsulfanyl-butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[(1S)-2-methyl-1-(phenylsulfanylmethyl)propyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[(2S)-3-methyl-1-(phenylthio)butan-2-yl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2S)-3-methyl-1-phenylsulfanylbutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[(1S)-2-methyl-1-[(phenylthio)methyl]propyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H32N2O3S MolecularWeight: 392.55538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CSC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[C@@H](CSC1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C

InChI

InChI=1S/C21H32N2O3S/c1-15(2)17(14-27-16-10-7-6-8-11-16)22-19(24)18-12-9-13-23(18)20(25)26-21(3,4)5/h6-8,10-11,15,17-18H,9,12-14H2,1-5H3,(H,22,24)/t17-,18+/m1/s1