2-[(2S)-4-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[(2S)-4-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-4-[2-(isobutylamino)-2-oxo-ethyl]-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-4-[2-(2-methylpropylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-4-[2-(2-methylpropylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-4-[2-(isobutylamino)-2-keto-ethyl]-3-keto-1,4-benzoxazin-2-yl]acetic acid Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CN1C2=CC=CC=C2OC(C1=O)CC(=O)O

Isomeric SMILES

CC(C)CNC(=O)CN1C2=CC=CC=C2O[C@H](C1=O)CC(=O)O

InChI

InChI=1S/C16H20N2O5/c1-10(2)8-17-14(19)9-18-11-5-3-4-6-12(11)23-13(16(18)22)7-15(20)21/h3-6,10,13H,7-9H2,1-2H3,(H,17,19)(H,20,21)/t13-/m0/s1