[3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-2-hexyl-pyridin-4-yl] propanoate

Systemtic Name: [3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-2-hexyl-pyridin-4-yl] propanoate Openeye Name: [3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]-2-hexyl-4-pyridyl] propanoate CAS Name: propanoic acid [3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-2-hexyl-4-pyridinyl] ester IUPAC Name: [3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-2-hexylpyridin-4-yl] propanoate Traditional Name: propionic acid [3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]-2-hexyl-4-pyridyl] ester Formula: C25H33N5O4 MolecularWeight: 467.56062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC=CC(=C1NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=N)N)OC(=O)CC

Isomeric SMILES

CCCCCCC1=NC=CC(=C1NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=N)N)OC(=O)CC

InChI

InChI=1S/C25H33N5O4/c1-3-5-6-7-8-19-24(20(15-16-28-19)34-23(33)4-2)30-22(32)14-13-21(31)29-18-11-9-17(10-12-18)25(26)27/h9-12,15-16H,3-8,13-14H2,1-2H3,(H3,26,27)(H,29,31)(H,30,32)