[(4-carbamimidoylphenyl)carbonylamino] 2-(3-oxidanylidene-4-phenethyl-5H-1,4-benzoxazepin-2-yl)ethanoate

Systemtic Name: [(4-carbamimidoylphenyl)carbonylamino] 2-(3-oxidanylidene-4-phenethyl-5H-1,4-benzoxazepin-2-yl)ethanoate Openeye Name: [(4-carbamimidoylbenzoyl)amino] 2-(3-oxo-4-phenethyl-5H-1,4-benzoxazepin-2-yl)acetate CAS Name: 2-(3-oxo-4-phenethyl-5H-1,4-benzoxazepin-2-yl)acetic acid [[(4-carbamimidoylphenyl)-oxomethyl]amino] ester IUPAC Name: [(4-carbamimidoylbenzoyl)amino] 2-(3-oxo-4-phenethyl-5H-1,4-benzoxazepin-2-yl)acetate Traditional Name: 2-(3-keto-4-phenethyl-5H-1,4-benzoxazepin-2-yl)acetic acid [(4-amidinobenzoyl)amino] ester Formula: C27H26N4O5 MolecularWeight: 486.51914

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2OC(C(=O)N1CCC3=CC=CC=C3)CC(=O)ONC(=O)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1C2=CC=CC=C2OC(C(=O)N1CCC3=CC=CC=C3)CC(=O)ONC(=O)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H26N4O5/c28-25(29)19-10-12-20(13-11-19)26(33)30-36-24(32)16-23-27(34)31(15-14-18-6-2-1-3-7-18)17-21-8-4-5-9-22(21)35-23/h1-13,23H,14-17H2,(H3,28,29)(H,30,33)