3-[[2-[[4-butyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-phenyl-ethanoyl]amino]-4-oxidanylidene-azetidine-2-carboxylic acid

Systemtic Name: 3-[[2-[[4-butyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-phenyl-ethanoyl]amino]-4-oxidanylidene-azetidine-2-carboxylic acid Openeye Name: 3-[[2-[(4-butyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-4-oxo-azetidine-2-carboxylic acid CAS Name: 3-[[2-[[(4-butyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-4-oxo-2-azetidinecarboxylic acid IUPAC Name: 3-[[2-[(4-butyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-oxoazetidine-2-carboxylic acid Traditional Name: 3-[[2-[(4-butyl-2,3-diketo-piperazine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-4-keto-azetidine-2-carboxylic acid Formula: C21H25N5O7 MolecularWeight: 459.4525

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C(NC3=O)C(=O)O

Isomeric SMILES

CCCCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C(NC3=O)C(=O)O

InChI

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