tert-butyl (2S)-2-[[(1R)-1-isocyanato-3-methyl-butyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[[(1R)-1-isocyanato-3-methyl-butyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[(1R)-1-isocyanato-3-methyl-butyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[(1R)-1-isocyanato-3-methylbutyl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(1R)-1-isocyanato-3-methylbutyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[(1R)-1-isocyanato-3-methyl-butyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C16H27N3O4 MolecularWeight: 325.40328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(NC(=O)C1CCCN1C(=O)OC(C)(C)C)N=C=O

Isomeric SMILES

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)N=C=O

InChI

InChI=1S/C16H27N3O4/c1-11(2)9-13(17-10-20)18-14(21)12-7-6-8-19(12)15(22)23-16(3,4)5/h11-13H,6-9H2,1-5H3,(H,18,21)/t12-,13-/m0/s1