2-[2-[[1-(5-acetamido-2-oxidanyl-phenyl)-2-oxidanyl-2-oxidanylidene-ethyl]amino]ethylamino]butanedioic acid

Systemtic Name: 2-[2-[[1-(5-acetamido-2-oxidanyl-phenyl)-2-oxidanyl-2-oxidanylidene-ethyl]amino]ethylamino]butanedioic acid Openeye Name: 2-[2-[[1-(5-acetamido-2-hydroxy-phenyl)-2-hydroxy-2-oxo-ethyl]amino]ethylamino]butanedioic acid CAS Name: 2-[2-[[1-(5-acetamido-2-hydroxyphenyl)-2-hydroxy-2-oxoethyl]amino]ethylamino]butanedioic acid IUPAC Name: 2-[2-[[1-(5-acetamido-2-hydroxyphenyl)-2-hydroxy-2-oxoethyl]amino]ethylamino]butanedioic acid Traditional Name: 2-[2-[[1-(5-acetamido-2-hydroxy-phenyl)-2-hydroxy-2-keto-ethyl]amino]ethylamino]succinic acid Formula: C16H21N3O8 MolecularWeight: 383.35324

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)O)C(C(=O)O)NCCNC(CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)O)C(C(=O)O)NCCNC(CC(=O)O)C(=O)O

InChI

InChI=1S/C16H21N3O8/c1-8(20)19-9-2-3-12(21)10(6-9)14(16(26)27)18-5-4-17-11(15(24)25)7-13(22)23/h2-3,6,11,14,17-18,21H,4-5,7H2,1H3,(H,19,20)(H,22,23)(H,24,25)(H,26,27)