(2R)-2-[[(2S)-2-(4-ethyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]hexanoic acid

Systemtic Name: (2R)-2-[[(2S)-2-(4-ethyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]hexanoic acid Openeye Name: (2R)-2-[[(2S)-2-(4-ethyl-8-methyl-2-oxo-chromen-7-yl)oxypropanoyl]amino]hexanoic acid CAS Name: (2R)-2-[[(2S)-2-[(4-ethyl-8-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]hexanoic acid IUPAC Name: (2R)-2-[[(2S)-2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]hexanoic acid Traditional Name: (2R)-2-[[(2S)-2-(4-ethyl-2-keto-8-methyl-chromen-7-yl)oxypropanoyl]amino]hexanoic acid Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C(C)OC1=C(C2=C(C=C1)C(=CC(=O)O2)CC)C

Isomeric SMILES

CCCC[C@H](C(=O)O)NC(=O)[C@H](C)OC1=C(C2=C(C=C1)C(=CC(=O)O2)CC)C

InChI

InChI=1S/C21H27NO6/c1-5-7-8-16(21(25)26)22-20(24)13(4)27-17-10-9-15-14(6-2)11-18(23)28-19(15)12(17)3/h9-11,13,16H,5-8H2,1-4H3,(H,22,24)(H,25,26)/t13-,16+/m0/s1