2-[[2-[(4-carbamimidoylphenyl)methylcarbamoyl]cyclopenten-1-yl]carbonyl-(2-methylphenyl)amino]ethanoic acid

Systemtic Name: 2-[[2-[(4-carbamimidoylphenyl)methylcarbamoyl]cyclopenten-1-yl]carbonyl-(2-methylphenyl)amino]ethanoic acid Openeye Name: 2-(N-[2-[(4-carbamimidoylphenyl)methylcarbamoyl]cyclopentene-1-carbonyl]-2-methyl-anilino)acetic acid CAS Name: 2-(N-[[2-[[(4-carbamimidoylphenyl)methylamino]-oxomethyl]-1-cyclopentenyl]-oxomethyl]-2-methylanilino)acetic acid IUPAC Name: 2-(N-[2-[(4-carbamimidoylphenyl)methylcarbamoyl]cyclopentene-1-carbonyl]-2-methylanilino)acetic acid Traditional Name: 2-(N-[2-[(4-amidinobenzyl)carbamoyl]cyclopentene-1-carbonyl]-2-methyl-anilino)acetic acid Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)O)C(=O)C2=C(CCC2)C(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)O)C(=O)C2=C(CCC2)C(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H26N4O4/c1-15-5-2-3-8-20(15)28(14-21(29)30)24(32)19-7-4-6-18(19)23(31)27-13-16-9-11-17(12-10-16)22(25)26/h2-3,5,8-12H,4,6-7,13-14H2,1H3,(H3,25,26)(H,27,31)(H,29,30)