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

Systemtic Name: 2-(3-carbamimidoylphenyl)-2-[(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)carbonylamino]ethanoic acid Openeye Name: 2-(3-carbamimidoylphenyl)-2-[[3-methyl-4-(pyrrolidine-1-carbonyl)benzoyl]amino]acetic acid CAS Name: 2-(3-carbamimidoylphenyl)-2-[[[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-(3-carbamimidoylphenyl)-2-[[3-methyl-4-(pyrrolidine-1-carbonyl)benzoyl]amino]acetic acid Traditional Name: 2-(3-amidinophenyl)-2-[[3-methyl-4-(pyrrolidine-1-carbonyl)benzoyl]amino]acetic acid Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(C2=CC=CC(=C2)C(=N)N)C(=O)O)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC(C2=CC=CC(=C2)C(=N)N)C(=O)O)C(=O)N3CCCC3

InChI

InChI=1S/C22H24N4O4/c1-13-11-16(7-8-17(13)21(28)26-9-2-3-10-26)20(27)25-18(22(29)30)14-5-4-6-15(12-14)19(23)24/h4-8,11-12,18H,2-3,9-10H2,1H3,(H3,23,24)(H,25,27)(H,29,30)