4-[(3-carbamimidoylphenyl)amino]-4-oxidanylidene-3-[(4-pyrrolidin-1-ylcarbonylphenyl)carbonylamino]butanoic acid

Systemtic Name: 4-[(3-carbamimidoylphenyl)amino]-4-oxidanylidene-3-[(4-pyrrolidin-1-ylcarbonylphenyl)carbonylamino]butanoic acid Openeye Name: 4-(3-carbamimidoylanilino)-4-oxo-3-[[4-(pyrrolidine-1-carbonyl)benzoyl]amino]butanoic acid CAS Name: 4-(3-carbamimidoylanilino)-4-oxo-3-[[oxo-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]amino]butanoic acid IUPAC Name: 4-(3-carbamimidoylanilino)-4-oxo-3-[[4-(pyrrolidine-1-carbonyl)benzoyl]amino]butanoic acid Traditional Name: 4-(3-amidinoanilino)-4-keto-3-[[4-(pyrrolidine-1-carbonyl)benzoyl]amino]butyric acid Formula: C23H25N5O5 MolecularWeight: 451.4751

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)C(=O)NC(CC(=O)O)C(=O)NC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)C(=O)NC(CC(=O)O)C(=O)NC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C23H25N5O5/c24-20(25)16-4-3-5-17(12-16)26-22(32)18(13-19(29)30)27-21(31)14-6-8-15(9-7-14)23(33)28-10-1-2-11-28/h3-9,12,18H,1-2,10-11,13H2,(H3,24,25)(H,26,32)(H,27,31)(H,29,30)