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

Systemtic Name: 2-[(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(tert-butoxycarbonylamino)-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[(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=C2C(=CC=C1)N=C(OC2=O)N(C(CCS(=O)(=O)C)C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(OC2=O)N(C(CCS(=O)(=O)C)C(=O)O)NC(=O)OC(C)(C)C

InChI

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