5-[1-[3-(3-carbamimidoylphenyl)-2-oxidanylidene-quinoxalin-1-yl]pentyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 5-[1-[3-(3-carbamimidoylphenyl)-2-oxidanylidene-quinoxalin-1-yl]pentyl]pyrrolidine-2-carboxylic acid Openeye Name: 5-[1-[3-(3-carbamimidoylphenyl)-2-oxo-quinoxalin-1-yl]pentyl]pyrrolidine-2-carboxylic acid CAS Name: 5-[1-[3-(3-carbamimidoylphenyl)-2-oxo-1-quinoxalinyl]pentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-[1-[3-(3-carbamimidoylphenyl)-2-oxoquinoxalin-1-yl]pentyl]pyrrolidine-2-carboxylic acid Traditional Name: 5-[1-[3-(3-amidinophenyl)-2-keto-quinoxalin-1-yl]pentyl]proline Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1CCC(N1)C(=O)O)N2C3=CC=CC=C3N=C(C2=O)C4=CC(=CC=C4)C(=N)N

Isomeric SMILES

CCCCC(C1CCC(N1)C(=O)O)N2C3=CC=CC=C3N=C(C2=O)C4=CC(=CC=C4)C(=N)N

InChI

InChI=1S/C25H29N5O3/c1-2-3-10-20(18-12-13-19(28-18)25(32)33)30-21-11-5-4-9-17(21)29-22(24(30)31)15-7-6-8-16(14-15)23(26)27/h4-9,11,14,18-20,28H,2-3,10,12-13H2,1H3,(H3,26,27)(H,32,33)