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

Systemtic Name: 5-azanyl-2-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl]-2-ethanoyl-pent-4-ynoic acid Openeye Name: 2-acetyl-5-amino-2-[1-(4-carbamimidoylphenyl)-2-oxo-pyrrolidin-3-yl]pent-4-ynoic acid CAS Name: 2-acetyl-5-amino-2-[1-(4-carbamimidoylphenyl)-2-oxo-3-pyrrolidinyl]-4-pentynoic acid IUPAC Name: 2-acetyl-5-amino-2-[1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]pent-4-ynoic acid Traditional Name: 2-acetyl-2-[1-(4-amidinophenyl)-2-keto-pyrrolidin-3-yl]-5-amino-pent-4-ynoic acid Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O4/c1-11(23)18(17(25)26,8-2-9-19)14-7-10-22(16(14)24)13-5-3-12(4-6-13)15(20)21/h3-6,14H,7-8,10,19H2,1H3,(H3,20,21)(H,25,26)