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

Systemtic Name: 2-[(3-carbamimidoylphenyl)-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynyl]amino]ethanoic acid Openeye Name: 2-[3-carbamimidoyl-N-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]anilino]acetic acid CAS Name: 2-[3-carbamimidoyl-N-[3-[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]prop-2-ynyl]anilino]acetic acid IUPAC Name: 2-[3-carbamimidoyl-N-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]anilino]acetic acid Traditional Name: 2-[3-amidino-N-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]anilino]acetic acid Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCN(CC(=O)O)C2=CC=CC(=C2)C(=N)N)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCN(CC(=O)O)C2=CC=CC(=C2)C(=N)N)C(=O)N3CCCC3

InChI

InChI=1S/C24H26N4O3/c1-17-14-18(9-10-21(17)24(31)27-11-2-3-12-27)6-5-13-28(16-22(29)30)20-8-4-7-19(15-20)23(25)26/h4,7-10,14-15H,2-3,11-13,16H2,1H3,(H3,25,26)(H,29,30)