(2S)-3-methyl-2-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]pentanoic acid

Systemtic Name: (2S)-3-methyl-2-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]pentanoic acid Openeye Name: (2S)-3-methyl-2-[[2-(4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]pentanoic acid CAS Name: (2S)-3-methyl-2-[[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]pentanoic acid IUPAC Name: (2S)-3-methyl-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]pentanoic acid Traditional Name: (2S)-2-[[2-(2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]-3-methyl-valeric acid Formula: C18H21NO6 MolecularWeight: 347.36244

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C

Isomeric SMILES

CCC(C)[C@@H](C(=O)O)NC(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C

InChI

InChI=1S/C18H21NO6/c1-4-10(2)17(18(22)23)19-15(20)9-24-12-5-6-13-11(3)7-16(21)25-14(13)8-12/h5-8,10,17H,4,9H2,1-3H3,(H,19,20)(H,22,23)/t10?,17-/m0/s1