(2S,3R)-2-[3-(7,8-dimethoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3R)-2-[3-(7,8-dimethoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-3-methyl-pentanoate Openeye Name: (2S,3R)-2-[3-(7,8-dimethoxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]-3-methyl-pentanoate CAS Name: (2S,3R)-2-[[3-(7,8-dimethoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-3-methylpentanoate IUPAC Name: (2S,3R)-2-[3-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-3-methylpentanoate Traditional Name: (2S,3R)-2-[3-(2-keto-7,8-dimethoxy-4-methyl-chromen-3-yl)propanoylamino]-3-methyl-valerate Formula: C21H26NO7- MolecularWeight: 404.43364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO7/c1-6-11(2)17(20(24)25)22-16(23)10-8-14-12(3)13-7-9-15(27-4)19(28-5)18(13)29-21(14)26/h7,9,11,17H,6,8,10H2,1-5H3,(H,22,23)(H,24,25)/p-1/t11-,17+/m1/s1