(2S)-3-methyl-2-[2-(2-oxidanylidene-4-phenyl-chromen-7-yl)oxypropanoylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[2-(2-oxidanylidene-4-phenyl-chromen-7-yl)oxypropanoylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[2-(2-oxo-4-phenyl-chromen-7-yl)oxypropanoylamino]butanoic acid CAS Name: (2S)-3-methyl-2-[[1-oxo-2-[(2-oxo-4-phenyl-1-benzopyran-7-yl)oxy]propyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[2-(2-oxo-4-phenylchromen-7-yl)oxypropanoylamino]butanoic acid Traditional Name: (2S)-2-[2-(2-keto-4-phenyl-chromen-7-yl)oxypropanoylamino]-3-methyl-butyric acid Formula: C23H23NO6 MolecularWeight: 409.43182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(C)OC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)C(C)OC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3

InChI

InChI=1S/C23H23NO6/c1-13(2)21(23(27)28)24-22(26)14(3)29-16-9-10-17-18(15-7-5-4-6-8-15)12-20(25)30-19(17)11-16/h4-14,21H,1-3H3,(H,24,26)(H,27,28)/t14?,21-/m0/s1