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

Systemtic Name: 2-[4-[4-(5-carbamimidoylpyrimidin-2-yl)phenyl]-3-methanoyl-2-oxidanylidene-1-phenyl-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[4-[4-(5-carbamimidoylpyrimidin-2-yl)phenyl]-3-formyl-2-oxo-1-phenyl-pyrrolidin-3-yl]acetic acid CAS Name: 2-[4-[4-(5-carbamimidoyl-2-pyrimidinyl)phenyl]-3-formyl-2-oxo-1-phenyl-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[4-[4-(5-carbamimidoylpyrimidin-2-yl)phenyl]-3-formyl-2-oxo-1-phenylpyrrolidin-3-yl]acetic acid Traditional Name: 2-[4-[4-(5-amidinopyrimidin-2-yl)phenyl]-3-formyl-2-keto-1-phenyl-pyrrolidin-3-yl]acetic acid Formula: C24H21N5O4 MolecularWeight: 443.45464

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)N1C2=CC=CC=C2)(CC(=O)O)C=O)C3=CC=C(C=C3)C4=NC=C(C=N4)C(=N)N

Isomeric SMILES

C1C(C(C(=O)N1C2=CC=CC=C2)(CC(=O)O)C=O)C3=CC=C(C=C3)C4=NC=C(C=N4)C(=N)N

InChI

InChI=1S/C24H21N5O4/c25-21(26)17-11-27-22(28-12-17)16-8-6-15(7-9-16)19-13-29(18-4-2-1-3-5-18)23(33)24(19,14-30)10-20(31)32/h1-9,11-12,14,19H,10,13H2,(H3,25,26)(H,31,32)