ethyl 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-3-(6-ethoxypyridin-3-yl)propanoate

Systemtic Name: ethyl 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-3-(6-ethoxypyridin-3-yl)propanoate Openeye Name: ethyl 3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]-3-(6-ethoxy-3-pyridyl)propanoate CAS Name: 3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-3-(6-ethoxy-3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-3-(6-ethoxypyridin-3-yl)propanoate Traditional Name: 3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]-3-(6-ethoxy-3-pyridyl)propionic acid ethyl ester Formula: C23H29N5O5 MolecularWeight: 455.50686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=C(C=C1)C(CC(=O)OCC)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC1=NC=C(C=C1)C(CC(=O)OCC)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C23H29N5O5/c1-3-32-21-12-7-16(14-26-21)18(13-22(31)33-4-2)28-20(30)11-10-19(29)27-17-8-5-15(6-9-17)23(24)25/h5-9,12,14,18H,3-4,10-11,13H2,1-2H3,(H3,24,25)(H,27,29)(H,28,30)