(2S)-2-[2-(5-methoxy-4,7-dimethyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]propanoic acid

Systemtic Name: (2S)-2-[2-(5-methoxy-4,7-dimethyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]propanoic acid Openeye Name: (2S)-2-[[2-(5-methoxy-4,7-dimethyl-2-oxo-chromen-3-yl)acetyl]amino]propanoic acid CAS Name: (2S)-2-[[2-(5-methoxy-4,7-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)acetyl]amino]propanoic acid Traditional Name: (2S)-2-[[2-(2-keto-5-methoxy-4,7-dimethyl-chromen-3-yl)acetyl]amino]propionic acid Formula: C17H19NO6 MolecularWeight: 333.33586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NC(C)C(=O)O)C)C(=C1)OC

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N[C@@H](C)C(=O)O)C)C(=C1)OC

InChI

InChI=1S/C17H19NO6/c1-8-5-12(23-4)15-9(2)11(17(22)24-13(15)6-8)7-14(19)18-10(3)16(20)21/h5-6,10H,7H2,1-4H3,(H,18,19)(H,20,21)/t10-/m0/s1