2-[[4-[bis(pyridin-2-ylmethyl)amino]-1-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoylamino]pentanedioic acid

Systemtic Name: 2-[[4-[bis(pyridin-2-ylmethyl)amino]-1-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoylamino]pentanedioic acid Openeye Name: 2-[[3-[bis(2-pyridylmethyl)amino]-1-carboxy-propyl]carbamoylamino]pentanedioic acid CAS Name: 2-[[[[4-[bis(2-pyridinylmethyl)amino]-1-hydroxy-1-oxobutan-2-yl]amino]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[bis(pyridin-2-ylmethyl)amino]-1-hydroxy-1-oxobutan-2-yl]carbamoylamino]pentanedioic acid Traditional Name: 2-[[3-[bis(2-pyridylmethyl)amino]-1-carboxy-propyl]carbamoylamino]glutaric acid Formula: C22H27N5O7 MolecularWeight: 473.47908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN(CCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)CC2=CC=CC=N2

Isomeric SMILES

C1=CC=NC(=C1)CN(CCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)CC2=CC=CC=N2

InChI

InChI=1S/C22H27N5O7/c28-19(29)8-7-17(20(30)31)25-22(34)26-18(21(32)33)9-12-27(13-15-5-1-3-10-23-15)14-16-6-2-4-11-24-16/h1-6,10-11,17-18H,7-9,12-14H2,(H,28,29)(H,30,31)(H,32,33)(H2,25,26,34)