ethanoyl (E)-5-azanyl-2-(4-carbamimidoylphenyl)-2-(2-oxidanylidenepyrrolidin-3-yl)pent-4-enoate

Systemtic Name: ethanoyl (E)-5-azanyl-2-(4-carbamimidoylphenyl)-2-(2-oxidanylidenepyrrolidin-3-yl)pent-4-enoate Openeye Name: acetyl (E)-5-amino-2-(4-carbamimidoylphenyl)-2-(2-oxopyrrolidin-3-yl)pent-4-enoate CAS Name: (E)-5-amino-2-(4-carbamimidoylphenyl)-2-(2-oxo-3-pyrrolidinyl)-4-pentenoic acid acetyl ester IUPAC Name: acetyl (E)-5-amino-2-(4-carbamimidoylphenyl)-2-(2-oxopyrrolidin-3-yl)pent-4-enoate Traditional Name: (E)-2-(4-amidinophenyl)-5-amino-2-(2-ketopyrrolidin-3-yl)pent-4-enoic acid acetyl ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(=O)C(CC=CN)(C1CCNC1=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(=O)OC(=O)C(C/C=C/N)(C1CCNC1=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C18H22N4O4/c1-11(23)26-17(25)18(8-2-9-19,14-7-10-22-16(14)24)13-5-3-12(4-6-13)15(20)21/h2-6,9,14H,7-8,10,19H2,1H3,(H3,20,21)(H,22,24)/b9-2+