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

Systemtic Name: sodium 2-[3-[[2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-phenyl-ethanoyl]amino]-2-methyl-4-oxidanylidene-azetidin-1-yl]oxyethanoic acid Openeye Name: sodium 2-[3-[[2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-2-methyl-4-oxo-azetidin-1-yl]oxyacetic acid CAS Name: sodium 2-[[3-[[2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-2-methyl-4-oxo-1-azetidinyl]oxy]acetic acid IUPAC Name: sodium 2-[3-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-2-methyl-4-oxoazetidin-1-yl]oxyacetic acid Traditional Name: sodium 2-[3-[[2-[(4-ethyl-2,3-diketo-piperazine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-2-keto-4-methyl-azetidin-1-yl]oxyacetic acid Formula: C21H25N5NaO8+ MolecularWeight: 498.44167

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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(N(C3=O)OCC(=O)O)C.[Na+]

Isomeric SMILES

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C(N(C3=O)OCC(=O)O)C.[Na+]

InChI

InChI=1S/C21H25N5O8.Na/c1-3-24-9-10-25(20(32)19(24)31)21(33)23-16(13-7-5-4-6-8-13)17(29)22-15-12(2)26(18(15)30)34-11-14(27)28;/h4-8,12,15-16H,3,9-11H2,1-2H3,(H,22,29)(H,23,33)(H,27,28);/q;+1