(2S)-2-[2-(4-ethyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-4-methyl-pentanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NC(CC(C)C)C(=O)O

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)N[C@@H](CC(C)C)C(=O)O

InChI

InChI=1S/C21H27NO6/c1-6-14-10-18(23)28-19-12(4)17(8-7-15(14)19)27-13(5)20(24)22-16(21(25)26)9-11(2)3/h7-8,10-11,13,16H,6,9H2,1-5H3,(H,22,24)(H,25,26)/t13?,16-/m0/s1