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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC(=O)CCC1=C(C2=C(C=C(C=C2)O)OC1=O)C

Isomeric SMILES

CCC[C@H](C(=O)O)NC(=O)CCC1=C(C2=C(C=C(C=C2)O)OC1=O)C

InChI

InChI=1S/C18H21NO6/c1-3-4-14(17(22)23)19-16(21)8-7-13-10(2)12-6-5-11(20)9-15(12)25-18(13)24/h5-6,9,14,20H,3-4,7-8H2,1-2H3,(H,19,21)(H,22,23)/t14-/m1/s1