4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylcarbamoyl]-8-[[4-(4-phenylbutoxy)phenyl]carbonylamino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid

Systemtic Name: 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylcarbamoyl]-8-[[4-(4-phenylbutoxy)phenyl]carbonylamino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid Openeye Name: 4-[2-[(3,5-dimethylisoxazol-4-yl)sulfonylcarbamoyl]-8-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid CAS Name: 4-[2-[[(3,5-dimethyl-4-isoxazolyl)sulfonylamino]-oxomethyl]-8-[[oxo-[4-(4-phenylbutoxy)phenyl]methyl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid IUPAC Name: 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylcarbamoyl]-8-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid Traditional Name: 4-[2-[(3,5-dimethylisoxazol-4-yl)sulfonylcarbamoyl]-8-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]butyric acid Formula: C35H38N4O9S MolecularWeight: 690.76262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)NC(=O)C2CN(C3=C(O2)C(=CC=C3)NC(=O)C4=CC=C(C=C4)OCCCCC5=CC=CC=C5)CCCC(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)NC(=O)C2CN(C3=C(O2)C(=CC=C3)NC(=O)C4=CC=C(C=C4)OCCCCC5=CC=CC=C5)CCCC(=O)O

InChI

InChI=1S/C35H38N4O9S/c1-23-33(24(2)48-37-23)49(44,45)38-35(43)30-22-39(20-9-15-31(40)41)29-14-8-13-28(32(29)47-30)36-34(42)26-16-18-27(19-17-26)46-21-7-6-12-25-10-4-3-5-11-25/h3-5,8,10-11,13-14,16-19,30H,6-7,9,12,15,20-22H2,1-2H3,(H,36,42)(H,38,43)(H,40,41)