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

Systemtic Name: (2S)-2-[3-(7,8-dimethoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoylamino]propanoic acid Openeye Name: (2S)-2-[3-(7,8-dimethoxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]propanoic acid CAS Name: (2S)-2-[[3-(7,8-dimethoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]propanoic acid IUPAC Name: (2S)-2-[3-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic acid Traditional Name: (2S)-2-[3-(2-keto-7,8-dimethoxy-4-methyl-chromen-3-yl)propanoylamino]propionic acid Formula: C18H21NO7 MolecularWeight: 363.36184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2OC)OC)CCC(=O)NC(C)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2OC)OC)CCC(=O)N[C@@H](C)C(=O)O

InChI

InChI=1S/C18H21NO7/c1-9-11-5-7-13(24-3)16(25-4)15(11)26-18(23)12(9)6-8-14(20)19-10(2)17(21)22/h5,7,10H,6,8H2,1-4H3,(H,19,20)(H,21,22)/t10-/m0/s1