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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC(CC(C)C)C(=O)O

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)N[C@@H](CC(C)C)C(=O)O

InChI

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