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

Systemtic Name: 4-[2-[4-(4-carbamimidoylphenyl)-3-methyl-2-oxidanylidene-1,3-oxazinan-6-yl]ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[2-[4-(4-carbamimidoylphenyl)-3-methyl-2-oxo-1,3-oxazinan-6-yl]acetyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[2-[4-(4-carbamimidoylphenyl)-3-methyl-2-oxo-1,3-oxazinan-6-yl]-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[2-[4-(4-carbamimidoylphenyl)-3-methyl-2-oxo-1,3-oxazinan-6-yl]acetyl]amino]-4-oxobutanoic acid Traditional Name: 4-[[2-[4-(4-amidinophenyl)-2-keto-3-methyl-1,3-oxazinan-6-yl]acetyl]amino]-4-keto-butyric acid Formula: C18H22N4O6 MolecularWeight: 390.39048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O6/c1-22-13(10-2-4-11(5-3-10)17(19)20)8-12(28-18(22)27)9-15(24)21-14(23)6-7-16(25)26/h2-5,12-13H,6-9H2,1H3,(H3,19,20)(H,25,26)(H,21,23,24)