4-[[3-[2-methyl-1-[4-[(2-methylphenyl)carbamoylamino]phenoxy]propan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]carbonylamino]-2-[(4-methylphenyl)sulfonylamino]butanoic acid

Systemtic Name: 4-[[3-[2-methyl-1-[4-[(2-methylphenyl)carbamoylamino]phenoxy]propan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]carbonylamino]-2-[(4-methylphenyl)sulfonylamino]butanoic acid Openeye Name: 4-[[3-[1,1-dimethyl-2-[4-(o-tolylcarbamoylamino)phenoxy]ethyl]-4,5-dihydroisoxazole-5-carbonyl]amino]-2-(p-tolylsulfonylamino)butanoic acid CAS Name: 4-[[[3-[2-methyl-1-[4-[[(2-methylanilino)-oxomethyl]amino]phenoxy]propan-2-yl]-4,5-dihydroisoxazol-5-yl]-oxomethyl]amino]-2-[(4-methylphenyl)sulfonylamino]butanoic acid IUPAC Name: 4-[[3-[2-methyl-1-[4-[(2-methylphenyl)carbamoylamino]phenoxy]propan-2-yl]-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]-2-[(4-methylphenyl)sulfonylamino]butanoic acid Traditional Name: 4-[[3-[1,1-dimethyl-2-[4-(o-tolylcarbamoylamino)phenoxy]ethyl]-2-isoxazoline-5-carbonyl]amino]-2-(tosylamino)butyric acid Formula: C33H39N5O8S MolecularWeight: 665.75646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCNC(=O)C2CC(=NO2)C(C)(C)COC3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCNC(=O)C2CC(=NO2)C(C)(C)COC3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4C)C(=O)O

InChI

InChI=1S/C33H39N5O8S/c1-21-9-15-25(16-10-21)47(43,44)38-27(31(40)41)17-18-34-30(39)28-19-29(37-46-28)33(3,4)20-45-24-13-11-23(12-14-24)35-32(42)36-26-8-6-5-7-22(26)2/h5-16,27-28,38H,17-20H2,1-4H3,(H,34,39)(H,40,41)(H2,35,36,42)