6-(1H-imidazol-2-ylamino)-6-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-2-[(phenylmethyl)sulfonylamino]hexanoic acid

Systemtic Name: 6-(1H-imidazol-2-ylamino)-6-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-2-[(phenylmethyl)sulfonylamino]hexanoic acid Openeye Name: 2-(benzylsulfonylamino)-6-(1H-imidazol-2-ylamino)-6-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)hexanoic acid CAS Name: 6-(1H-imidazol-2-ylamino)-6-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-[(phenylmethyl)sulfonylamino]hexanoic acid IUPAC Name: 2-(benzylsulfonylamino)-6-(1H-imidazol-2-ylamino)-6-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)hexanoic acid Traditional Name: 2-(benzylsulfonylamino)-6-(1H-imidazol-2-ylamino)-6-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)hexanoic acid Formula: C24H25N5O7S MolecularWeight: 527.5496

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(CCCC(=O)NC3=NC=CN3)(C(=O)O)NS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(CCCC(=O)NC3=NC=CN3)(C(=O)O)NS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H25N5O7S/c30-20(28-23-25-11-12-26-23)7-4-10-24(22(32)33,29-37(34,35)15-16-5-2-1-3-6-16)17-8-9-19-18(13-17)27-21(31)14-36-19/h1-3,5-6,8-9,11-13,29H,4,7,10,14-15H2,(H,27,31)(H,32,33)(H2,25,26,28,30)