(2S)-3-methyl-2-[3-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxidanylidene-chromen-3-yl]propanoylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[3-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxidanylidene-chromen-3-yl]propanoylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[3-[4-methyl-7-(2-methylallyloxy)-2-oxo-chromen-3-yl]propanoylamino]butanoic acid CAS Name: (2S)-3-methyl-2-[[3-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxo-1-benzopyran-3-yl]-1-oxopropyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[3-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]propanoylamino]butanoic acid Traditional Name: (2S)-2-[3-[2-keto-4-methyl-7-(2-methylallyloxy)chromen-3-yl]propanoylamino]-3-methyl-butyric acid Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=C)C)CCC(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=C)C)CCC(=O)N[C@@H](C(C)C)C(=O)O

InChI

InChI=1S/C22H27NO6/c1-12(2)11-28-15-6-7-16-14(5)17(22(27)29-18(16)10-15)8-9-19(24)23-20(13(3)4)21(25)26/h6-7,10,13,20H,1,8-9,11H2,2-5H3,(H,23,24)(H,25,26)/t20-/m0/s1