tert-butyl (2R,3R)-2-cyano-2-[(2-methoxy-2-oxidanylidene-ethyl)carbamoyl]-3-(2-methylpropyl)aziridine-1-carboxylate

Systemtic Name: tert-butyl (2R,3R)-2-cyano-2-[(2-methoxy-2-oxidanylidene-ethyl)carbamoyl]-3-(2-methylpropyl)aziridine-1-carboxylate Openeye Name: tert-butyl (2R,3R)-2-cyano-3-isobutyl-2-[(2-methoxy-2-oxo-ethyl)carbamoyl]aziridine-1-carboxylate CAS Name: (2R,3R)-2-cyano-2-[[(2-methoxy-2-oxoethyl)amino]-oxomethyl]-3-(2-methylpropyl)-1-aziridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3R)-2-cyano-2-[(2-methoxy-2-oxoethyl)carbamoyl]-3-(2-methylpropyl)aziridine-1-carboxylate Traditional Name: (2R,3R)-2-cyano-3-isobutyl-2-[(2-keto-2-methoxy-ethyl)carbamoyl]ethylenimine-1-carboxylic acid tert-butyl ester Formula: C16H25N3O5 MolecularWeight: 339.3868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(N1C(=O)OC(C)(C)C)(C#N)C(=O)NCC(=O)OC

Isomeric SMILES

CC(C)C[C@@H]1[C@@](N1C(=O)OC(C)(C)C)(C#N)C(=O)NCC(=O)OC

InChI

InChI=1S/C16H25N3O5/c1-10(2)7-11-16(9-17,13(21)18-8-12(20)23-6)19(11)14(22)24-15(3,4)5/h10-11H,7-8H2,1-6H3,(H,18,21)/t11-,16+,19?/m1/s1