N3-[2-(2-carbamimidoyl-4-ethanoyl-phenyl)ethyl]-N2-[1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]oxirane-2,3-dicarboxamide

Systemtic Name: N3-[2-(2-carbamimidoyl-4-ethanoyl-phenyl)ethyl]-N2-[1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]oxirane-2,3-dicarboxamide Openeye Name: N3-[2-(4-acetyl-2-carbamimidoyl-phenyl)ethyl]-N2-[1-benzyl-2-(dimethylamino)-2-oxo-ethyl]oxirane-2,3-dicarboxamide CAS Name: N3-[2-(4-acetyl-2-carbamimidoylphenyl)ethyl]-N2-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxirane-2,3-dicarboxamide IUPAC Name: 3-N-[2-(4-acetyl-2-carbamimidoylphenyl)ethyl]-2-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxirane-2,3-dicarboxamide Traditional Name: N'-[2-(4-acetyl-2-amidino-phenyl)ethyl]-N-[1-benzyl-2-(dimethylamino)-2-keto-ethyl]oxirane-2,3-dicarboxamide Formula: C26H31N5O5 MolecularWeight: 493.55484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)CCNC(=O)C2C(O2)C(=O)NC(CC3=CC=CC=C3)C(=O)N(C)C)C(=N)N

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)CCNC(=O)C2C(O2)C(=O)NC(CC3=CC=CC=C3)C(=O)N(C)C)C(=N)N

InChI

InChI=1S/C26H31N5O5/c1-15(32)18-10-9-17(19(14-18)23(27)28)11-12-29-24(33)21-22(36-21)25(34)30-20(26(35)31(2)3)13-16-7-5-4-6-8-16/h4-10,14,20-22H,11-13H2,1-3H3,(H3,27,28)(H,29,33)(H,30,34)