2-[(2S)-7-methyl-3-oxidanylidene-4-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[(2S)-7-methyl-3-oxidanylidene-4-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-4-(2-anilino-2-oxo-ethyl)-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-4-(2-anilino-2-oxoethyl)-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-4-(2-anilino-2-oxoethyl)-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-4-(2-anilino-2-keto-ethyl)-3-keto-7-methyl-1,4-benzoxazin-2-yl]acetic acid Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(O2)CC(=O)O)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)[C@@H](O2)CC(=O)O)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O5/c1-12-7-8-14-15(9-12)26-16(10-18(23)24)19(25)21(14)11-17(22)20-13-5-3-2-4-6-13/h2-9,16H,10-11H2,1H3,(H,20,22)(H,23,24)/t16-/m0/s1