(2R)-2-[2-(4,7-dimethyl-5-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)CC1=C(C2=C(C=C(C=C2O)C)OC1=O)C

Isomeric SMILES

CC[C@H](C(=O)O)NC(=O)CC1=C(C2=C(C=C(C=C2O)C)OC1=O)C

InChI

InChI=1S/C17H19NO6/c1-4-11(16(21)22)18-14(20)7-10-9(3)15-12(19)5-8(2)6-13(15)24-17(10)23/h5-6,11,19H,4,7H2,1-3H3,(H,18,20)(H,21,22)/t11-/m1/s1