6-[(4-azido-2-oxidanyl-phenyl)methylamino]-2-[2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbonyl-2-sulfo-hexanoic acid

Systemtic Name: 6-[(4-azido-2-oxidanyl-phenyl)methylamino]-2-[2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbonyl-2-sulfo-hexanoic acid Openeye Name: 6-[(4-azido-2-hydroxy-phenyl)methylamino]-2-(2,5-dioxopyrrolidine-3-carbonyl)-2-sulfo-hexanoic acid CAS Name: 6-[(4-azido-2-hydroxyphenyl)methylamino]-2-[(2,5-dioxo-3-pyrrolidinyl)-oxomethyl]-2-sulfohexanoic acid IUPAC Name: 6-[(4-azido-2-hydroxyphenyl)methylamino]-2-(2,5-dioxopyrrolidine-3-carbonyl)-2-sulfohexanoic acid Traditional Name: 6-[(4-azido-2-hydroxy-benzyl)amino]-2-(2,5-diketopyrrolidine-3-carbonyl)-2-sulfo-hexanoic acid Formula: C18H21N5O9S MolecularWeight: 483.45244

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC1=O)C(=O)C(CCCCNCC2=C(C=C(C=C2)N=[N+]=[N-])O)(C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1C(C(=O)NC1=O)C(=O)C(CCCCNCC2=C(C=C(C=C2)N=[N+]=[N-])O)(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H21N5O9S/c19-23-22-11-4-3-10(13(24)7-11)9-20-6-2-1-5-18(17(28)29,33(30,31)32)15(26)12-8-14(25)21-16(12)27/h3-4,7,12,20,24H,1-2,5-6,8-9H2,(H,28,29)(H,21,25,27)(H,30,31,32)