[1-[(3-carbamimidoylphenyl)methylamino]-2-oxidanylidene-propyl] 2-(5-carbamimidoyl-1H-indol-3-yl)ethanoate

Systemtic Name: [1-[(3-carbamimidoylphenyl)methylamino]-2-oxidanylidene-propyl] 2-(5-carbamimidoyl-1H-indol-3-yl)ethanoate Openeye Name: [1-[(3-carbamimidoylphenyl)methylamino]-2-oxo-propyl] 2-(5-carbamimidoyl-1H-indol-3-yl)acetate CAS Name: 2-(5-carbamimidoyl-1H-indol-3-yl)acetic acid [1-[(3-carbamimidoylphenyl)methylamino]-2-oxopropyl] ester IUPAC Name: [1-[(3-carbamimidoylphenyl)methylamino]-2-oxopropyl] 2-(5-carbamimidoyl-1H-indol-3-yl)acetate Traditional Name: 2-(5-amidino-1H-indol-3-yl)acetic acid [1-[(3-amidinobenzyl)amino]-2-keto-propyl] ester Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(NCC1=CC=CC(=C1)C(=N)N)OC(=O)CC2=CNC3=C2C=C(C=C3)C(=N)N

Isomeric SMILES

CC(=O)C(NCC1=CC=CC(=C1)C(=N)N)OC(=O)CC2=CNC3=C2C=C(C=C3)C(=N)N

InChI

InChI=1S/C22H24N6O3/c1-12(29)22(28-10-13-3-2-4-14(7-13)20(23)24)31-19(30)9-16-11-27-18-6-5-15(21(25)26)8-17(16)18/h2-8,11,22,27-28H,9-10H2,1H3,(H3,23,24)(H3,25,26)