6-[(4-azido-2-oxidanyl-phenyl)carbonylamino]-2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-sulfo-hexanoic acid

Systemtic Name: 6-[(4-azido-2-oxidanyl-phenyl)carbonylamino]-2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-sulfo-hexanoic acid Openeye Name: 6-[(4-azido-2-hydroxy-benzoyl)amino]-2-(2,5-dioxopyrrolidin-1-yl)-2-sulfo-hexanoic acid CAS Name: 6-[[(4-azido-2-hydroxyphenyl)-oxomethyl]amino]-2-(2,5-dioxo-1-pyrrolidinyl)-2-sulfohexanoic acid IUPAC Name: 6-[(4-azido-2-hydroxybenzoyl)amino]-2-(2,5-dioxopyrrolidin-1-yl)-2-sulfohexanoic acid Traditional Name: 6-[(4-azido-2-hydroxy-benzoyl)amino]-2-succinimido-2-sulfo-hexanoic acid Formula: C17H19N5O9S MolecularWeight: 469.42586

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)C(CCCCNC(=O)C2=C(C=C(C=C2)N=[N+]=[N-])O)(C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1CC(=O)N(C1=O)C(CCCCNC(=O)C2=C(C=C(C=C2)N=[N+]=[N-])O)(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C17H19N5O9S/c18-21-20-10-3-4-11(12(23)9-10)15(26)19-8-2-1-7-17(16(27)28,32(29,30)31)22-13(24)5-6-14(22)25/h3-4,9,23H,1-2,5-8H2,(H,19,26)(H,27,28)(H,29,30,31)