3-(3-carbamimidoylphenyl)-3-[(3-chloranyl-4-pyrrolidin-1-ylcarbonyl-phenyl)carbonylamino]propanoic acid

Systemtic Name: 3-(3-carbamimidoylphenyl)-3-[(3-chloranyl-4-pyrrolidin-1-ylcarbonyl-phenyl)carbonylamino]propanoic acid Openeye Name: 3-(3-carbamimidoylphenyl)-3-[[3-chloro-4-(pyrrolidine-1-carbonyl)benzoyl]amino]propanoic acid CAS Name: 3-(3-carbamimidoylphenyl)-3-[[[3-chloro-4-[oxo(1-pyrrolidinyl)methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(3-carbamimidoylphenyl)-3-[[3-chloro-4-(pyrrolidine-1-carbonyl)benzoyl]amino]propanoic acid Traditional Name: 3-(3-amidinophenyl)-3-[[3-chloro-4-(pyrrolidine-1-carbonyl)benzoyl]amino]propionic acid Formula: C22H23ClN4O4 MolecularWeight: 442.89542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O4/c23-17-11-15(6-7-16(17)22(31)27-8-1-2-9-27)21(30)26-18(12-19(28)29)13-4-3-5-14(10-13)20(24)25/h3-7,10-11,18H,1-2,8-9,12H2,(H3,24,25)(H,26,30)(H,28,29)