4-[1-(2-cyanoethyl)-1,2,3,4-tetrazol-5-yl]-4-[[1-[1-(2-isocyanoethyl)-1,2,3,4-tetrazol-5-yl]-4-oxidanyl-4-oxidanylidene-butyl]carbamoylamino]butanoic acid

Systemtic Name: 4-[1-(2-cyanoethyl)-1,2,3,4-tetrazol-5-yl]-4-[[1-[1-(2-isocyanoethyl)-1,2,3,4-tetrazol-5-yl]-4-oxidanyl-4-oxidanylidene-butyl]carbamoylamino]butanoic acid Openeye Name: 4-[1-(2-cyanoethyl)tetrazol-5-yl]-4-[[4-hydroxy-1-[1-(2-isocyanoethyl)tetrazol-5-yl]-4-oxo-butyl]carbamoylamino]butanoic acid CAS Name: 4-[1-(2-cyanoethyl)-5-tetrazolyl]-4-[[[[4-hydroxy-1-[1-(2-isocyanoethyl)-5-tetrazolyl]-4-oxobutyl]amino]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[1-(2-cyanoethyl)tetrazol-5-yl]-4-[[4-hydroxy-1-[1-(2-isocyanoethyl)tetrazol-5-yl]-4-oxobutyl]carbamoylamino]butanoic acid Traditional Name: 4-[1-(2-cyanoethyl)tetrazol-5-yl]-4-[[4-hydroxy-1-[1-(2-isocyanoethyl)tetrazol-5-yl]-4-keto-butyl]carbamoylamino]butyric acid Formula: C17H22N12O5 MolecularWeight: 474.43398

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]CCN1C(=NN=N1)C(CCC(=O)O)NC(=O)NC(CCC(=O)O)C2=NN=NN2CCC#N

Isomeric SMILES

[C-]#[N+]CCN1C(=NN=N1)C(CCC(=O)O)NC(=O)NC(CCC(=O)O)C2=NN=NN2CCC#N

InChI

InChI=1S/C17H22N12O5/c1-19-8-10-29-16(23-25-27-29)12(4-6-14(32)33)21-17(34)20-11(3-5-13(30)31)15-22-24-26-28(15)9-2-7-18/h11-12H,2-6,8-10H2,(H,30,31)(H,32,33)(H2,20,21,34)