3-[5-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2-pyrrolidin-1-ylcarbonyl-phenyl]propanoic acid

Systemtic Name: 3-[5-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2-pyrrolidin-1-ylcarbonyl-phenyl]propanoic acid Openeye Name: 3-[5-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-(pyrrolidine-1-carbonyl)phenyl]propanoic acid CAS Name: 3-[5-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-[oxo(1-pyrrolidinyl)methyl]phenyl]propanoic acid IUPAC Name: 3-[5-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-(pyrrolidine-1-carbonyl)phenyl]propanoic acid Traditional Name: 3-[5-[3-(4-amidinoanilino)prop-1-ynyl]-2-(pyrrolidine-1-carbonyl)phenyl]propionic acid Formula: C24H26N4O3 MolecularWeight: 418.48824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=C(C=C(C=C2)C#CCNC3=CC=C(C=C3)C(=N)N)CCC(=O)O

Isomeric SMILES

C1CCN(C1)C(=O)C2=C(C=C(C=C2)C#CCNC3=CC=C(C=C3)C(=N)N)CCC(=O)O

InChI

InChI=1S/C24H26N4O3/c25-23(26)18-6-9-20(10-7-18)27-13-3-4-17-5-11-21(19(16-17)8-12-22(29)30)24(31)28-14-1-2-15-28/h5-7,9-11,16,27H,1-2,8,12-15H2,(H3,25,26)(H,29,30)