2-azido-3-[2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]pent-4-ynoylamino]-4-oxidanylidene-azetidine-1-sulfonate

Systemtic Name: 2-azido-3-[2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]pent-4-ynoylamino]-4-oxidanylidene-azetidine-1-sulfonate Openeye Name: 2-azido-3-[2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]pent-4-ynoylamino]-4-oxo-azetidine-1-sulfonate CAS Name: 2-azido-3-[[2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-1-oxopent-4-ynyl]amino]-4-oxo-1-azetidinesulfonate IUPAC Name: 2-azido-3-[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]pent-4-ynoylamino]-4-oxoazetidine-1-sulfonate Traditional Name: 2-azido-3-[2-[(4-ethyl-2,3-diketo-piperazine-1-carbonyl)amino]pent-4-ynoylamino]-4-keto-azetidine-1-sulfonate Formula: C15H17N8O8S- MolecularWeight: 469.40928

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(=O)C1=O)C(=O)NC(CC#C)C(=O)NC2C(N(C2=O)S(=O)(=O)[O-])N=[N+]=[N-]

Isomeric SMILES

CCN1CCN(C(=O)C1=O)C(=O)NC(CC#C)C(=O)NC2C(N(C2=O)S(=O)(=O)[O-])N=[N+]=[N-]

InChI

InChI=1S/C15H18N8O8S/c1-3-5-8(17-15(28)22-7-6-21(4-2)13(26)14(22)27)11(24)18-9-10(19-20-16)23(12(9)25)32(29,30)31/h1,8-10H,4-7H2,2H3,(H,17,28)(H,18,24)(H,29,30,31)/p-1