3-(3-carbamimidoylphenyl)-3-[(6-chloranyl-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-yl)amino]propanoic acid

Systemtic Name: 3-(3-carbamimidoylphenyl)-3-[(6-chloranyl-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-yl)amino]propanoic acid Openeye Name: 3-(3-carbamimidoylphenyl)-3-[[6-chloro-7-(pyrrolidine-1-carbonyl)quinazolin-4-yl]amino]propanoic acid CAS Name: 3-(3-carbamimidoylphenyl)-3-[[6-chloro-7-[oxo(1-pyrrolidinyl)methyl]-4-quinazolinyl]amino]propanoic acid IUPAC Name: 3-(3-carbamimidoylphenyl)-3-[[6-chloro-7-(pyrrolidine-1-carbonyl)quinazolin-4-yl]amino]propanoic acid Traditional Name: 3-(3-amidinophenyl)-3-[[6-chloro-7-(pyrrolidine-1-carbonyl)quinazolin-4-yl]amino]propionic acid Formula: C23H23ClN6O3 MolecularWeight: 466.92012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=C(C=C3C(=C2)N=CN=C3NC(CC(=O)O)C4=CC=CC(=C4)C(=N)N)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C2=C(C=C3C(=C2)N=CN=C3NC(CC(=O)O)C4=CC=CC(=C4)C(=N)N)Cl

InChI

InChI=1S/C23H23ClN6O3/c24-17-9-16-19(10-15(17)23(33)30-6-1-2-7-30)27-12-28-22(16)29-18(11-20(31)32)13-4-3-5-14(8-13)21(25)26/h3-5,8-10,12,18H,1-2,6-7,11H2,(H3,25,26)(H,31,32)(H,27,28,29)