tert-butyl (4S)-3-[(2R)-3-isocyanato-2-methyl-propanoyl]-1-methyl-2-oxidanylidene-imidazolidine-4-carboxylate

Systemtic Name: tert-butyl (4S)-3-[(2R)-3-isocyanato-2-methyl-propanoyl]-1-methyl-2-oxidanylidene-imidazolidine-4-carboxylate Openeye Name: tert-butyl (4S)-3-[(2R)-3-isocyanato-2-methyl-propanoyl]-1-methyl-2-oxo-imidazolidine-4-carboxylate CAS Name: (4S)-3-[(2R)-3-isocyanato-2-methyl-1-oxopropyl]-1-methyl-2-oxo-4-imidazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-3-[(2R)-3-isocyanato-2-methylpropanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylate Traditional Name: (4S)-3-[(2R)-3-isocyanato-2-methyl-propanoyl]-2-keto-1-methyl-imidazolidine-4-carboxylic acid tert-butyl ester Formula: C14H21N3O5 MolecularWeight: 311.33364

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN=C=O)C(=O)N1C(CN(C1=O)C)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](CN=C=O)C(=O)N1[C@@H](CN(C1=O)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C14H21N3O5/c1-9(6-15-8-18)11(19)17-10(7-16(5)13(17)21)12(20)22-14(2,3)4/h9-10H,6-7H2,1-5H3/t9-,10+/m1/s1