(2R)-3-methyl-2-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]butanoic acid

Systemtic Name: (2R)-3-methyl-2-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]butanoic acid Openeye Name: (2R)-2-[3-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]-3-methyl-butanoic acid CAS Name: (2R)-2-[[3-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: (2R)-2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-3-methylbutanoic acid Traditional Name: (2R)-2-[3-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]-3-methyl-butyric acid Formula: C18H21NO6 MolecularWeight: 347.36244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)N[C@H](C(C)C)C(=O)O

InChI

InChI=1S/C18H21NO6/c1-9(2)16(17(22)23)19-15(21)7-6-13-10(3)12-5-4-11(20)8-14(12)25-18(13)24/h4-5,8-9,16,20H,6-7H2,1-3H3,(H,19,21)(H,22,23)/t16-/m1/s1