ethanoyl (E)-5-azanyl-2-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-azetidin-3-yl]pent-4-enoate

Systemtic Name: ethanoyl (E)-5-azanyl-2-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-azetidin-3-yl]pent-4-enoate Openeye Name: acetyl (E)-5-amino-2-[1-(4-carbamimidoylphenyl)-2-oxo-azetidin-3-yl]pent-4-enoate CAS Name: (E)-5-amino-2-[1-(4-carbamimidoylphenyl)-2-oxo-3-azetidinyl]-4-pentenoic acid acetyl ester IUPAC Name: acetyl (E)-5-amino-2-[1-(4-carbamimidoylphenyl)-2-oxoazetidin-3-yl]pent-4-enoate Traditional Name: (E)-2-[1-(4-amidinophenyl)-2-keto-azetidin-3-yl]-5-amino-pent-4-enoic acid acetyl ester Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(=O)C(CC=CN)C1CN(C1=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(=O)OC(=O)C(C/C=C/N)C1CN(C1=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C17H20N4O4/c1-10(22)25-17(24)13(3-2-8-18)14-9-21(16(14)23)12-6-4-11(5-7-12)15(19)20/h2,4-8,13-14H,3,9,18H2,1H3,(H3,19,20)/b8-2+