2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-3,1-benzoxazin-2-yl]amino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-3,1-benzoxazin-2-yl]amino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[[6-(tert-butoxycarbonylamino)-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[5-methyl-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-3,1-benzoxazin-2-yl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3,1-benzoxazin-2-yl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[[6-(tert-butoxycarbonylamino)-4-keto-5-methyl-3,1-benzoxazin-2-yl]amino]-4-mesyl-butyric acid Formula: C19H25N3O8S MolecularWeight: 455.4821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(CCS(=O)(=O)C)C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(CCS(=O)(=O)C)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C19H25N3O8S/c1-10-11(22-18(26)30-19(2,3)4)6-7-12-14(10)16(25)29-17(20-12)21-13(15(23)24)8-9-31(5,27)28/h6-7,13H,8-9H2,1-5H3,(H,20,21)(H,22,26)(H,23,24)