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

Systemtic Name: tert-butyl (2S,4R)-4-(4-tert-butylphenyl)-2-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,4R)-4-(4-tert-butylphenyl)-2-[[(1S)-1-methoxycarbonyl-3-methylsulfanyl-propyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S,4R)-4-(4-tert-butylphenyl)-2-[[[(2S)-1-methoxy-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4R)-4-(4-tert-butylphenyl)-2-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S,4R)-4-(4-tert-butylphenyl)-2-[[(1S)-1-carbomethoxy-3-(methylthio)propyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C26H40N2O5S MolecularWeight: 492.6712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2CC(N(C2)C(=O)OC(C)(C)C)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C26H40N2O5S/c1-25(2,3)19-11-9-17(10-12-19)18-15-21(28(16-18)24(31)33-26(4,5)6)22(29)27-20(13-14-34-8)23(30)32-7/h9-12,18,20-21H,13-16H2,1-8H3,(H,27,29)/t18-,20-,21-/m0/s1