[3-[[2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-phenyl-ethanoyl]amino]-4-oxidanylidene-azetidin-2-yl]methyl ethanoate

Systemtic Name: [3-[[2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-phenyl-ethanoyl]amino]-4-oxidanylidene-azetidin-2-yl]methyl ethanoate Openeye Name: [3-[[2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-4-oxo-azetidin-2-yl]methyl acetate CAS Name: acetic acid [3-[[2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-4-oxo-2-azetidinyl]methyl ester IUPAC Name: [3-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-oxoazetidin-2-yl]methyl acetate Traditional Name: acetic acid [3-[[2-[(4-ethyl-2,3-diketo-piperazine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-4-keto-azetidin-2-yl]methyl ester Formula: C21H25N5O7 MolecularWeight: 459.4525

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C(NC3=O)COC(=O)C

Isomeric SMILES

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C(NC3=O)COC(=O)C

InChI

InChI=1S/C21H25N5O7/c1-3-25-9-10-26(20(31)19(25)30)21(32)24-15(13-7-5-4-6-8-13)17(28)23-16-14(22-18(16)29)11-33-12(2)27/h4-8,14-16H,3,9-11H2,1-2H3,(H,22,29)(H,23,28)(H,24,32)