4-oxidanylidene-4-[[3-oxidanylidene-4-[(2S)-3-oxidanylidenebutan-2-yl]-1,4-benzoxazin-6-yl]amino]butanoate

Systemtic Name: 4-oxidanylidene-4-[[3-oxidanylidene-4-[(2S)-3-oxidanylidenebutan-2-yl]-1,4-benzoxazin-6-yl]amino]butanoate Openeye Name: 4-[[4-[(1S)-1-methyl-2-oxo-propyl]-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[3-oxo-4-[(2S)-3-oxobutan-2-yl]-1,4-benzoxazin-6-yl]amino]butanoate IUPAC Name: 4-oxo-4-[[3-oxo-4-[(2S)-3-oxobutan-2-yl]-1,4-benzoxazin-6-yl]amino]butanoate Traditional Name: 4-keto-4-[[3-keto-4-[(1S)-2-keto-1-methyl-propyl]-1,4-benzoxazin-6-yl]amino]butyrate Formula: C16H17N2O6- MolecularWeight: 333.31598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)N1C(=O)COC2=C1C=C(C=C2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)C)N1C(=O)COC2=C1C=C(C=C2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C16H18N2O6/c1-9(10(2)19)18-12-7-11(17-14(20)5-6-16(22)23)3-4-13(12)24-8-15(18)21/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,20)(H,22,23)/p-1/t9-/m0/s1