ethyl 3-[2-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]ethanoylamino]-3-pyridin-2-yl-propanoate

Systemtic Name: ethyl 3-[2-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]ethanoylamino]-3-pyridin-2-yl-propanoate Openeye Name: ethyl 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]acetyl]amino]-3-(2-pyridyl)propanoate CAS Name: 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]-1-oxoethyl]amino]-3-(2-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]acetyl]amino]-3-pyridin-2-ylpropanoate Traditional Name: 3-[[2-[3-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]acetyl]amino]-3-(2-pyridyl)propionic acid ethyl ester Formula: C22H26N6O4 MolecularWeight: 438.47964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=N1)NC(=O)CN2CCN(C2=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=N1)NC(=O)CN2CCN(C2=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H26N6O4/c1-2-32-20(30)13-18(17-5-3-4-10-25-17)26-19(29)14-27-11-12-28(22(27)31)16-8-6-15(7-9-16)21(23)24/h3-10,18H,2,11-14H2,1H3,(H3,23,24)(H,26,29)