2-[2-[(2,6-dimethyl-3-oxidanylidene-4H-1,4-benzoxazin-2-yl)carbonylamino]propanoylamino]pentanedioic acid

Systemtic Name: 2-[2-[(2,6-dimethyl-3-oxidanylidene-4H-1,4-benzoxazin-2-yl)carbonylamino]propanoylamino]pentanedioic acid Openeye Name: 2-[2-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carbonyl)amino]propanoylamino]pentanedioic acid CAS Name: 2-[[2-[[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-2-yl)-oxomethyl]amino]-1-oxopropyl]amino]pentanedioic acid IUPAC Name: 2-[2-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carbonyl)amino]propanoylamino]pentanedioic acid Traditional Name: 2-[2-[(3-keto-2,6-dimethyl-4H-1,4-benzoxazine-2-carbonyl)amino]propanoylamino]glutaric acid Formula: C19H23N3O8 MolecularWeight: 421.40122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(C(=O)N2)(C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)OC(C(=O)N2)(C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C19H23N3O8/c1-9-4-6-13-12(8-9)22-18(29)19(3,30-13)17(28)20-10(2)15(25)21-11(16(26)27)5-7-14(23)24/h4,6,8,10-11H,5,7H2,1-3H3,(H,20,28)(H,21,25)(H,22,29)(H,23,24)(H,26,27)