2-[2-[4-(5-carbamimidoylpyrimidin-2-yl)phenyl]-2-methanoyl-1-pyridin-3-ylcarbonyl-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[2-[4-(5-carbamimidoylpyrimidin-2-yl)phenyl]-2-methanoyl-1-pyridin-3-ylcarbonyl-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[2-[4-(5-carbamimidoylpyrimidin-2-yl)phenyl]-2-formyl-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[2-[4-(5-carbamimidoyl-2-pyrimidinyl)phenyl]-2-formyl-1-[oxo(3-pyridinyl)methyl]-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[2-[4-(5-carbamimidoylpyrimidin-2-yl)phenyl]-2-formyl-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]acetic acid Traditional Name: 2-[2-[4-(5-amidinopyrimidin-2-yl)phenyl]-2-formyl-1-nicotinoyl-pyrrolidin-3-yl]acetic acid Formula: C24H22N6O4 MolecularWeight: 458.46928

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C1CC(=O)O)(C=O)C2=CC=C(C=C2)C3=NC=C(C=N3)C(=N)N)C(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(C(C1CC(=O)O)(C=O)C2=CC=C(C=C2)C3=NC=C(C=N3)C(=N)N)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C24H22N6O4/c25-21(26)17-12-28-22(29-13-17)15-3-5-18(6-4-15)24(14-31)19(10-20(32)33)7-9-30(24)23(34)16-2-1-8-27-11-16/h1-6,8,11-14,19H,7,9-10H2,(H3,25,26)(H,32,33)