N3-[3-(4-azanylimidazol-1-yl)propyl]-N2-[1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]oxirane-2,3-dicarboxamide

Systemtic Name: N3-[3-(4-azanylimidazol-1-yl)propyl]-N2-[1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]oxirane-2,3-dicarboxamide Openeye Name: N3-[3-(4-aminoimidazol-1-yl)propyl]-N2-[1-benzyl-2-(dimethylamino)-2-oxo-ethyl]oxirane-2,3-dicarboxamide CAS Name: N3-[3-(4-amino-1-imidazolyl)propyl]-N2-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxirane-2,3-dicarboxamide IUPAC Name: 3-N-[3-(4-aminoimidazol-1-yl)propyl]-2-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxirane-2,3-dicarboxamide Traditional Name: N'-[3-(4-aminoimidazol-1-yl)propyl]-N-[1-benzyl-2-(dimethylamino)-2-keto-ethyl]oxirane-2,3-dicarboxamide Formula: C21H28N6O4 MolecularWeight: 428.48482

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(CC1=CC=CC=C1)NC(=O)C2C(O2)C(=O)NCCCN3C=C(N=C3)N

Isomeric SMILES

CN(C)C(=O)C(CC1=CC=CC=C1)NC(=O)C2C(O2)C(=O)NCCCN3C=C(N=C3)N

InChI

InChI=1S/C21H28N6O4/c1-26(2)21(30)15(11-14-7-4-3-5-8-14)25-20(29)18-17(31-18)19(28)23-9-6-10-27-12-16(22)24-13-27/h3-5,7-8,12-13,15,17-18H,6,9-11,22H2,1-2H3,(H,23,28)(H,25,29)