2-[(2S)-6-methyl-4-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[(2S)-6-methyl-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]-6-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-6-methyl-4-[2-(2-methylpropylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-6-methyl-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-6-methyl-1,4-benzoxazin-2-yl]acetic acid Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(C(=O)N2CC(=O)NCC(C)C)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)O[C@H](C(=O)N2CC(=O)NCC(C)C)CC(=O)O

InChI

InChI=1S/C17H22N2O5/c1-10(2)8-18-15(20)9-19-12-6-11(3)4-5-13(12)24-14(17(19)23)7-16(21)22/h4-6,10,14H,7-9H2,1-3H3,(H,18,20)(H,21,22)/t14-/m0/s1