2-imidazol-1-yl-4-[(3-oxidanyl-2-sulfo-phenyl)carbonylamino]octanoic acid

Systemtic Name: 2-imidazol-1-yl-4-[(3-oxidanyl-2-sulfo-phenyl)carbonylamino]octanoic acid Openeye Name: 4-[(3-hydroxy-2-sulfo-benzoyl)amino]-2-imidazol-1-yl-octanoic acid CAS Name: 4-[[(3-hydroxy-2-sulfophenyl)-oxomethyl]amino]-2-(1-imidazolyl)octanoic acid IUPAC Name: 4-[(3-hydroxy-2-sulfobenzoyl)amino]-2-imidazol-1-yloctanoic acid Traditional Name: 4-[(3-hydroxy-2-sulfo-benzoyl)amino]-2-imidazol-1-yl-caprylic acid Formula: C18H23N3O7S MolecularWeight: 425.45612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(C(=O)O)N1C=CN=C1)NC(=O)C2=C(C(=CC=C2)O)S(=O)(=O)O

Isomeric SMILES

CCCCC(CC(C(=O)O)N1C=CN=C1)NC(=O)C2=C(C(=CC=C2)O)S(=O)(=O)O

InChI

InChI=1S/C18H23N3O7S/c1-2-3-5-12(10-14(18(24)25)21-9-8-19-11-21)20-17(23)13-6-4-7-15(22)16(13)29(26,27)28/h4,6-9,11-12,14,22H,2-3,5,10H2,1H3,(H,20,23)(H,24,25)(H,26,27,28)