ethyl 1-ethyl-3-[[1-(3-methylbutylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylate

Systemtic Name: ethyl 1-ethyl-3-[[1-(3-methylbutylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[[1-benzyl-2-(isopentylamino)-2-oxo-ethyl]carbamoyl]-1-ethyl-aziridine-2-carboxylate CAS Name: 1-ethyl-3-[[[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-[[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[[1-benzyl-2-(isoamylamino)-2-keto-ethyl]carbamoyl]-1-ethyl-ethylenimine-2-carboxylic acid ethyl ester Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C1C(=O)OCC)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCC(C)C

Isomeric SMILES

CCN1C(C1C(=O)OCC)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCC(C)C

InChI

InChI=1S/C22H33N3O4/c1-5-25-18(19(25)22(28)29-6-2)21(27)24-17(14-16-10-8-7-9-11-16)20(26)23-13-12-15(3)4/h7-11,15,17-19H,5-6,12-14H2,1-4H3,(H,23,26)(H,24,27)