ethyl 3-[2-[[1-aminocarbonyl-2-(4-carbamimidoylphenyl)cyclopropyl]carbonylamino]pyridin-3-yl]propanoate

Systemtic Name: ethyl 3-[2-[[1-aminocarbonyl-2-(4-carbamimidoylphenyl)cyclopropyl]carbonylamino]pyridin-3-yl]propanoate Openeye Name: ethyl 3-[2-[[2-(4-carbamimidoylphenyl)-1-carbamoyl-cyclopropanecarbonyl]amino]-3-pyridyl]propanoate CAS Name: 3-[2-[[[2-(4-carbamimidoylphenyl)-1-carbamoylcyclopropyl]-oxomethyl]amino]-3-pyridinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[[2-(4-carbamimidoylphenyl)-1-carbamoylcyclopropanecarbonyl]amino]pyridin-3-yl]propanoate Traditional Name: 3-[2-[[2-(4-amidinophenyl)-1-carbamoyl-cyclopropanecarbonyl]amino]-3-pyridyl]propionic acid ethyl ester Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(N=CC=C1)NC(=O)C2(CC2C3=CC=C(C=C3)C(=N)N)C(=O)N

Isomeric SMILES

CCOC(=O)CCC1=C(N=CC=C1)NC(=O)C2(CC2C3=CC=C(C=C3)C(=N)N)C(=O)N

InChI

InChI=1S/C22H25N5O4/c1-2-31-17(28)10-9-15-4-3-11-26-19(15)27-21(30)22(20(25)29)12-16(22)13-5-7-14(8-6-13)18(23)24/h3-8,11,16H,2,9-10,12H2,1H3,(H3,23,24)(H2,25,29)(H,26,27,30)