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

Systemtic Name: 3-(3-carbamimidoylphenyl)-3-[(3-ethynyl-4-pyrrolidin-1-ylcarbonyl-phenyl)carbonylamino]propanoic acid Openeye Name: 3-(3-carbamimidoylphenyl)-3-[[3-ethynyl-4-(pyrrolidine-1-carbonyl)benzoyl]amino]propanoic acid CAS Name: 3-(3-carbamimidoylphenyl)-3-[[[3-ethynyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(3-carbamimidoylphenyl)-3-[[3-ethynyl-4-(pyrrolidine-1-carbonyl)benzoyl]amino]propanoic acid Traditional Name: 3-(3-amidinophenyl)-3-[[3-ethynyl-4-(pyrrolidine-1-carbonyl)benzoyl]amino]propionic acid Formula: C24H24N4O4 MolecularWeight: 432.47176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O4/c1-2-15-12-18(8-9-19(15)24(32)28-10-3-4-11-28)23(31)27-20(14-21(29)30)16-6-5-7-17(13-16)22(25)26/h1,5-9,12-13,20H,3-4,10-11,14H2,(H3,25,26)(H,27,31)(H,29,30)