(2R)-2-[3-(3,5,9-trimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]butanoate

Systemtic Name: (2R)-2-[3-(3,5,9-trimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]butanoate Openeye Name: (2R)-2-[3-(3,5,9-trimethyl-7-oxo-furo[3,2-g]chromen-6-yl)propanoylamino]butanoate CAS Name: (2R)-2-[[1-oxo-3-(3,5,9-trimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)propyl]amino]butanoate IUPAC Name: (2R)-2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoate Traditional Name: (2R)-2-[3-(7-keto-3,5,9-trimethyl-furo[3,2-g]chromen-6-yl)propanoylamino]butyrate Formula: C21H22NO6- MolecularWeight: 384.40248

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])NC(=O)CCC1=C(C2=C(C(=C3C(=C2)C(=CO3)C)C)OC1=O)C

Isomeric SMILES

CC[C@H](C(=O)[O-])NC(=O)CCC1=C(C2=C(C(=C3C(=C2)C(=CO3)C)C)OC1=O)C

InChI

InChI=1S/C21H23NO6/c1-5-16(20(24)25)22-17(23)7-6-13-11(3)15-8-14-10(2)9-27-18(14)12(4)19(15)28-21(13)26/h8-9,16H,5-7H2,1-4H3,(H,22,23)(H,24,25)/p-1/t16-/m1/s1