2-[5-[3-[(2-carbamimidoylphenyl)amino]prop-1-ynyl]-2-pyrrolidin-1-ylcarbonyl-phenyl]ethanoic acid

Systemtic Name: 2-[5-[3-[(2-carbamimidoylphenyl)amino]prop-1-ynyl]-2-pyrrolidin-1-ylcarbonyl-phenyl]ethanoic acid Openeye Name: 2-[5-[3-(2-carbamimidoylanilino)prop-1-ynyl]-2-(pyrrolidine-1-carbonyl)phenyl]acetic acid CAS Name: 2-[5-[3-(2-carbamimidoylanilino)prop-1-ynyl]-2-[oxo(1-pyrrolidinyl)methyl]phenyl]acetic acid IUPAC Name: 2-[5-[3-(2-carbamimidoylanilino)prop-1-ynyl]-2-(pyrrolidine-1-carbonyl)phenyl]acetic acid Traditional Name: 2-[5-[3-(2-amidinoanilino)prop-1-ynyl]-2-(pyrrolidine-1-carbonyl)phenyl]acetic acid Formula: C23H24N4O3 MolecularWeight: 404.46166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=C(C=C(C=C2)C#CCNC3=CC=CC=C3C(=N)N)CC(=O)O

Isomeric SMILES

C1CCN(C1)C(=O)C2=C(C=C(C=C2)C#CCNC3=CC=CC=C3C(=N)N)CC(=O)O

InChI

InChI=1S/C23H24N4O3/c24-22(25)19-7-1-2-8-20(19)26-11-5-6-16-9-10-18(17(14-16)15-21(28)29)23(30)27-12-3-4-13-27/h1-2,7-10,14,26H,3-4,11-13,15H2,(H3,24,25)(H,28,29)