(2S)-2-[3-(3-tert-butyl-5-methyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]propanoate

Systemtic Name: (2S)-2-[3-(3-tert-butyl-5-methyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]propanoate Openeye Name: (2S)-2-[3-(3-tert-butyl-5-methyl-7-oxo-furo[3,2-g]chromen-6-yl)propanoylamino]propanoate CAS Name: (2S)-2-[[3-(3-tert-butyl-5-methyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxopropyl]amino]propanoate IUPAC Name: (2S)-2-[3-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoate Traditional Name: (2S)-2-[3-(3-tert-butyl-7-keto-5-methyl-furo[3,2-g]chromen-6-yl)propanoylamino]propionate Formula: C22H24NO6- MolecularWeight: 398.42906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C(C)(C)C)CCC(=O)NC(C)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C(C)(C)C)CCC(=O)N[C@@H](C)C(=O)[O-]

InChI

InChI=1S/C22H25NO6/c1-11-13(6-7-19(24)23-12(2)20(25)26)21(27)29-18-9-17-15(8-14(11)18)16(10-28-17)22(3,4)5/h8-10,12H,6-7H2,1-5H3,(H,23,24)(H,25,26)/p-1/t12-/m0/s1