3-[4-[[(5-carbamimidoyl-1H-indol-2-yl)carbonylamino]methyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[[(5-carbamimidoyl-1H-indol-2-yl)carbonylamino]methyl]phenyl]propanoic acid Openeye Name: 3-[4-[[(5-carbamimidoyl-1H-indole-2-carbonyl)amino]methyl]phenyl]propanoic acid CAS Name: 3-[4-[[[(5-carbamimidoyl-1H-indol-2-yl)-oxomethyl]amino]methyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[(5-carbamimidoyl-1H-indole-2-carbonyl)amino]methyl]phenyl]propanoic acid Traditional Name: 3-[4-[[(5-amidino-1H-indole-2-carbonyl)amino]methyl]phenyl]propionic acid Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)CNC(=O)C2=CC3=C(N2)C=CC(=C3)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)CNC(=O)C2=CC3=C(N2)C=CC(=C3)C(=N)N

InChI

InChI=1S/C20H20N4O3/c21-19(22)14-6-7-16-15(9-14)10-17(24-16)20(27)23-11-13-3-1-12(2-4-13)5-8-18(25)26/h1-4,6-7,9-10,24H,5,8,11H2,(H3,21,22)(H,23,27)(H,25,26)