2,2-dimethylpropanoyloxymethyl 3-[[1-oxidanylidene-1-(phenethylamino)-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 3-[[1-oxidanylidene-1-(phenethylamino)-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylate Openeye Name: 2,2-dimethylpropanoyloxymethyl 3-[[1-benzyl-2-oxo-2-(phenethylamino)ethyl]carbamoyl]aziridine-2-carboxylate CAS Name: 3-[oxo-[[1-oxo-1-(phenethylamino)-3-phenylpropan-2-yl]amino]methyl]-2-aziridinecarboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 3-[[1-oxo-1-(phenethylamino)-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[[1-benzyl-2-keto-2-(phenethylamino)ethyl]carbamoyl]ethylenimine-2-carboxylic acid pivaloyloxymethyl ester Formula: C27H33N3O6 MolecularWeight: 495.56742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC(=O)C1C(N1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)OCOC(=O)C1C(N1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C27H33N3O6/c1-27(2,3)26(34)36-17-35-25(33)22-21(30-22)24(32)29-20(16-19-12-8-5-9-13-19)23(31)28-15-14-18-10-6-4-7-11-18/h4-13,20-22,30H,14-17H2,1-3H3,(H,28,31)(H,29,32)