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

Systemtic Name: 4-[[(2S)-2-methyl-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,4-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(2S)-2-methyl-4-[2-(methylamino)-2-oxo-ethyl]-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxo-butanoate CAS Name: 4-[[(2S)-2-methyl-4-[2-(methylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[(2S)-2-methyl-4-[2-(methylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[(2S)-3-keto-4-[2-keto-2-(methylamino)ethyl]-2-methyl-1,4-benzoxazin-6-yl]amino]butyrate Formula: C16H18N3O6- MolecularWeight: 348.33062

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)NC(=O)CCC(=O)[O-])CC(=O)NC

Isomeric SMILES

C[C@H]1C(=O)N(C2=C(O1)C=CC(=C2)NC(=O)CCC(=O)[O-])CC(=O)NC

InChI

InChI=1S/C16H19N3O6/c1-9-16(24)19(8-14(21)17-2)11-7-10(3-4-12(11)25-9)18-13(20)5-6-15(22)23/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,21)(H,18,20)(H,22,23)/p-1/t9-/m0/s1