2-(methylamino)-6-[[6-[(2E)-2-[(2-sulfophenyl)methylidene]hydrazinyl]pyridin-3-yl]carbonylamino]hexanoic acid

Systemtic Name: 2-(methylamino)-6-[[6-[(2E)-2-[(2-sulfophenyl)methylidene]hydrazinyl]pyridin-3-yl]carbonylamino]hexanoic acid Openeye Name: 2-(methylamino)-6-[[6-[(2E)-2-[(2-sulfophenyl)methylene]hydrazino]pyridine-3-carbonyl]amino]hexanoic acid CAS Name: 2-(methylamino)-6-[[oxo-[6-[(2E)-2-[(2-sulfophenyl)methylidene]hydrazinyl]-3-pyridinyl]methyl]amino]hexanoic acid IUPAC Name: 2-(methylamino)-6-[[6-[(2E)-2-[(2-sulfophenyl)methylidene]hydrazinyl]pyridine-3-carbonyl]amino]hexanoic acid Traditional Name: 2-(methylamino)-6-[[6-[(N'E)-N'-(2-sulfobenzylidene)hydrazino]nicotinoyl]amino]hexanoic acid Formula: C20H25N5O6S MolecularWeight: 463.5074

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CCCCNC(=O)C1=CN=C(C=C1)NN=CC2=CC=CC=C2S(=O)(=O)O)C(=O)O

Isomeric SMILES

CNC(CCCCNC(=O)C1=CN=C(C=C1)N/N=C/C2=CC=CC=C2S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C20H25N5O6S/c1-21-16(20(27)28)7-4-5-11-22-19(26)15-9-10-18(23-12-15)25-24-13-14-6-2-3-8-17(14)32(29,30)31/h2-3,6,8-10,12-13,16,21H,4-5,7,11H2,1H3,(H,22,26)(H,23,25)(H,27,28)(H,29,30,31)/b24-13+