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

Systemtic Name: 4-[2-[4-(4-carbamimidoylphenyl)-3-methyl-2-oxidanylidene-1,3-oxazinan-6-yl]ethanoylamino]-4-phenyl-butanoic acid Openeye Name: 4-[[2-[4-(4-carbamimidoylphenyl)-3-methyl-2-oxo-1,3-oxazinan-6-yl]acetyl]amino]-4-phenyl-butanoic acid CAS Name: 4-[[2-[4-(4-carbamimidoylphenyl)-3-methyl-2-oxo-1,3-oxazinan-6-yl]-1-oxoethyl]amino]-4-phenylbutanoic acid IUPAC Name: 4-[[2-[4-(4-carbamimidoylphenyl)-3-methyl-2-oxo-1,3-oxazinan-6-yl]acetyl]amino]-4-phenylbutanoic acid Traditional Name: 4-[[2-[4-(4-amidinophenyl)-2-keto-3-methyl-1,3-oxazinan-6-yl]acetyl]amino]-4-phenyl-butyric acid Formula: C24H28N4O5 MolecularWeight: 452.50292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O5/c1-28-20(16-7-9-17(10-8-16)23(25)26)13-18(33-24(28)32)14-21(29)27-19(11-12-22(30)31)15-5-3-2-4-6-15/h2-10,18-20H,11-14H2,1H3,(H3,25,26)(H,27,29)(H,30,31)