6-(1H-imidazol-2-ylamino)-2-(naphthalen-1-ylsulfonylamino)-6-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)hexanoic acid

Systemtic Name: 6-(1H-imidazol-2-ylamino)-2-(naphthalen-1-ylsulfonylamino)-6-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)hexanoic acid Openeye Name: 6-(1H-imidazol-2-ylamino)-2-(1-naphthylsulfonylamino)-6-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)hexanoic acid CAS Name: 6-(1H-imidazol-2-ylamino)-2-(1-naphthalenylsulfonylamino)-6-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)hexanoic acid IUPAC Name: 6-(1H-imidazol-2-ylamino)-2-(naphthalen-1-ylsulfonylamino)-6-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)hexanoic acid Traditional Name: 6-(1H-imidazol-2-ylamino)-6-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)-2-(1-naphthylsulfonylamino)hexanoic acid Formula: C27H25N5O7S MolecularWeight: 563.5817

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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)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(CCCC(=O)NC3=NC=CN3)(C(=O)O)NS(=O)(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H25N5O7S/c33-23(31-26-28-13-14-29-26)9-4-12-27(25(35)36,18-10-11-21-20(15-18)30-24(34)16-39-21)32-40(37,38)22-8-3-6-17-5-1-2-7-19(17)22/h1-3,5-8,10-11,13-15,32H,4,9,12,16H2,(H,30,34)(H,35,36)(H2,28,29,31,33)