ethyl 3-[[2-[(4-carbamimidoylphenyl)carbamoylamino]-2-methyl-propanoyl]amino]-3-pyridin-3-yl-propanoate

Systemtic Name: ethyl 3-[[2-[(4-carbamimidoylphenyl)carbamoylamino]-2-methyl-propanoyl]amino]-3-pyridin-3-yl-propanoate Openeye Name: ethyl 3-[[2-[(4-carbamimidoylphenyl)carbamoylamino]-2-methyl-propanoyl]amino]-3-(3-pyridyl)propanoate CAS Name: 3-[[2-[[(4-carbamimidoylanilino)-oxomethyl]amino]-2-methyl-1-oxopropyl]amino]-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-carbamimidoylphenyl)carbamoylamino]-2-methylpropanoyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: 3-[[2-[(4-amidinophenyl)carbamoylamino]-2-methyl-propanoyl]amino]-3-(3-pyridyl)propionic acid ethyl ester Formula: C22H28N6O4 MolecularWeight: 440.49552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)C(C)(C)NC(=O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)C(C)(C)NC(=O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C22H28N6O4/c1-4-32-18(29)12-17(15-6-5-11-25-13-15)27-20(30)22(2,3)28-21(31)26-16-9-7-14(8-10-16)19(23)24/h5-11,13,17H,4,12H2,1-3H3,(H3,23,24)(H,27,30)(H2,26,28,31)