(2R)-N-(4-carbamimidoylphenyl)-2-[4-(4-methylphenyl)-3-oxidanylidene-1,4-oxazepan-2-yl]-2-oxidanyl-ethanamide

Systemtic Name: (2R)-N-(4-carbamimidoylphenyl)-2-[4-(4-methylphenyl)-3-oxidanylidene-1,4-oxazepan-2-yl]-2-oxidanyl-ethanamide Openeye Name: (2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[3-oxo-4-(p-tolyl)-1,4-oxazepan-2-yl]acetamide CAS Name: (2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-(4-methylphenyl)-3-oxo-1,4-oxazepan-2-yl]acetamide IUPAC Name: (2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-(4-methylphenyl)-3-oxo-1,4-oxazepan-2-yl]acetamide Traditional Name: (2R)-N-(4-amidinophenyl)-2-hydroxy-2-[3-keto-4-(p-tolyl)-1,4-oxazepan-2-yl]acetamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CCCOC(C2=O)C(C(=O)NC3=CC=C(C=C3)C(=N)N)O

Isomeric SMILES

CC1=CC=C(C=C1)N2CCCOC(C2=O)[C@H](C(=O)NC3=CC=C(C=C3)C(=N)N)O

InChI

InChI=1S/C21H24N4O4/c1-13-3-9-16(10-4-13)25-11-2-12-29-18(21(25)28)17(26)20(27)24-15-7-5-14(6-8-15)19(22)23/h3-10,17-18,26H,2,11-12H2,1H3,(H3,22,23)(H,24,27)/t17-,18?/m1/s1