4-[2-[4-(4-carbamimidoylphenyl)-3-methyl-2-oxidanylidene-1,3-oxazinan-6-yl]ethanoylamino]-4-pyridin-3-yl-butanoic acid

Systemtic Name: 4-[2-[4-(4-carbamimidoylphenyl)-3-methyl-2-oxidanylidene-1,3-oxazinan-6-yl]ethanoylamino]-4-pyridin-3-yl-butanoic acid Openeye Name: 4-[[2-[4-(4-carbamimidoylphenyl)-3-methyl-2-oxo-1,3-oxazinan-6-yl]acetyl]amino]-4-(3-pyridyl)butanoic acid CAS Name: 4-[[2-[4-(4-carbamimidoylphenyl)-3-methyl-2-oxo-1,3-oxazinan-6-yl]-1-oxoethyl]amino]-4-(3-pyridinyl)butanoic acid IUPAC Name: 4-[[2-[4-(4-carbamimidoylphenyl)-3-methyl-2-oxo-1,3-oxazinan-6-yl]acetyl]amino]-4-pyridin-3-ylbutanoic acid Traditional Name: 4-[[2-[4-(4-amidinophenyl)-2-keto-3-methyl-1,3-oxazinan-6-yl]acetyl]amino]-4-(3-pyridyl)butyric acid Formula: C23H27N5O5 MolecularWeight: 453.49098

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CC(OC1=O)CC(=O)NC(CCC(=O)O)C2=CN=CC=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN1C(CC(OC1=O)CC(=O)NC(CCC(=O)O)C2=CN=CC=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H27N5O5/c1-28-19(14-4-6-15(7-5-14)22(24)25)11-17(33-23(28)32)12-20(29)27-18(8-9-21(30)31)16-3-2-10-26-13-16/h2-7,10,13,17-19H,8-9,11-12H2,1H3,(H3,24,25)(H,27,29)(H,30,31)