(E)-5-azanyl-3-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl]-3-ethanoyl-2-oxidanylidene-pent-4-enoic acid

Systemtic Name: (E)-5-azanyl-3-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl]-3-ethanoyl-2-oxidanylidene-pent-4-enoic acid Openeye Name: (E)-3-acetyl-5-amino-3-[1-(4-carbamimidoylphenyl)-2-oxo-pyrrolidin-3-yl]-2-oxo-pent-4-enoic acid CAS Name: (E)-3-acetyl-5-amino-3-[1-(4-carbamimidoylphenyl)-2-oxo-3-pyrrolidinyl]-2-oxo-4-pentenoic acid IUPAC Name: (E)-3-acetyl-5-amino-3-[1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]-2-oxopent-4-enoic acid Traditional Name: (E)-3-acetyl-3-[1-(4-amidinophenyl)-2-keto-pyrrolidin-3-yl]-5-amino-2-keto-pent-4-enoic acid Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C=CN)(C1CCN(C1=O)C2=CC=C(C=C2)C(=N)N)C(=O)C(=O)O

Isomeric SMILES

CC(=O)C(/C=C/N)(C1CCN(C1=O)C2=CC=C(C=C2)C(=N)N)C(=O)C(=O)O

InChI

InChI=1S/C18H20N4O5/c1-10(23)18(7-8-19,14(24)17(26)27)13-6-9-22(16(13)25)12-4-2-11(3-5-12)15(20)21/h2-5,7-8,13H,6,9,19H2,1H3,(H3,20,21)(H,26,27)/b8-7+