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

Systemtic Name: 4-[[(2S)-2-methyl-4-(2-methylpropyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(2S)-4-isobutyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxo-butanoate CAS Name: 4-[[(2S)-2-methyl-4-(2-methylpropyl)-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[(2S)-2-methyl-4-(2-methylpropyl)-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxobutanoate Traditional Name: 4-[[(2S)-4-isobutyl-3-keto-2-methyl-1,4-benzoxazin-6-yl]amino]-4-keto-butyrate Formula: C17H21N2O5- MolecularWeight: 333.35904

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O5/c1-10(2)9-19-13-8-12(18-15(20)6-7-16(21)22)4-5-14(13)24-11(3)17(19)23/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,18,20)(H,21,22)/p-1/t11-/m0/s1