[1-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-propyl] 2-(5-carbamimidoyl-1-methyl-indol-3-yl)ethanoate

Systemtic Name: [1-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-propyl] 2-(5-carbamimidoyl-1-methyl-indol-3-yl)ethanoate Openeye Name: [1-[(4-carbamimidoylphenyl)methylamino]-2-oxo-propyl] 2-(5-carbamimidoyl-1-methyl-indol-3-yl)acetate CAS Name: 2-(5-carbamimidoyl-1-methyl-3-indolyl)acetic acid [1-[(4-carbamimidoylphenyl)methylamino]-2-oxopropyl] ester IUPAC Name: [1-[(4-carbamimidoylphenyl)methylamino]-2-oxopropyl] 2-(5-carbamimidoyl-1-methylindol-3-yl)acetate Traditional Name: 2-(5-amidino-1-methyl-indol-3-yl)acetic acid [1-[(4-amidinobenzyl)amino]-2-keto-propyl] ester Formula: C23H26N6O3 MolecularWeight: 434.49094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N6O3/c1-13(30)23(28-11-14-3-5-15(6-4-14)21(24)25)32-20(31)10-17-12-29(2)19-8-7-16(22(26)27)9-18(17)19/h3-9,12,23,28H,10-11H2,1-2H3,(H3,24,25)(H3,26,27)