2-[2-[2-[2-(2-carboxy-2-oxidanyl-5-oxidanylidene-pyrrolidin-1-yl)propanoylamino]ethoxy]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid

Systemtic Name: 2-[2-[2-[2-(2-carboxy-2-oxidanyl-5-oxidanylidene-pyrrolidin-1-yl)propanoylamino]ethoxy]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid Openeye Name: 2-[2-[2-[2-(2-carboxy-2-hydroxy-5-oxo-pyrrolidin-1-yl)propanoylamino]ethoxy]-2-oxo-ethyl]-2-hydroxy-butanedioic acid CAS Name: 2-[2-[2-[[2-(2-carboxy-2-hydroxy-5-oxo-1-pyrrolidinyl)-1-oxopropyl]amino]ethoxy]-2-oxoethyl]-2-hydroxybutanedioic acid IUPAC Name: 2-[2-[2-[2-(2-carboxy-2-hydroxy-5-oxopyrrolidin-1-yl)propanoylamino]ethoxy]-2-oxoethyl]-2-hydroxybutanedioic acid Traditional Name: 2-[2-[2-[2-(2-carboxy-2-hydroxy-5-keto-pyrrolidino)propanoylamino]ethoxy]-2-keto-ethyl]-2-hydroxy-succinic acid Formula: C16H22N2O12 MolecularWeight: 434.35208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCOC(=O)CC(CC(=O)O)(C(=O)O)O)N1C(=O)CCC1(C(=O)O)O

Isomeric SMILES

CC(C(=O)NCCOC(=O)CC(CC(=O)O)(C(=O)O)O)N1C(=O)CCC1(C(=O)O)O

InChI

InChI=1S/C16H22N2O12/c1-8(18-9(19)2-3-16(18,29)14(26)27)12(23)17-4-5-30-11(22)7-15(28,13(24)25)6-10(20)21/h8,28-29H,2-7H2,1H3,(H,17,23)(H,20,21)(H,24,25)(H,26,27)