(2S,3R)-3-methyl-2-[2-(7-methyl-2-oxidanylidene-4-propyl-chromen-5-yl)oxyethanoylamino]pentanoic acid

Systemtic Name: (2S,3R)-3-methyl-2-[2-(7-methyl-2-oxidanylidene-4-propyl-chromen-5-yl)oxyethanoylamino]pentanoic acid Openeye Name: (2S,3R)-3-methyl-2-[[2-(7-methyl-2-oxo-4-propyl-chromen-5-yl)oxyacetyl]amino]pentanoic acid CAS Name: (2S,3R)-3-methyl-2-[[2-[(7-methyl-2-oxo-4-propyl-1-benzopyran-5-yl)oxy]-1-oxoethyl]amino]pentanoic acid IUPAC Name: (2S,3R)-3-methyl-2-[[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetyl]amino]pentanoic acid Traditional Name: (2S,3R)-2-[[2-(2-keto-7-methyl-4-propyl-chromen-5-yl)oxyacetyl]amino]-3-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)C)OCC(=O)NC(C(C)CC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO6/c1-5-7-14-10-18(24)28-16-9-12(3)8-15(19(14)16)27-11-17(23)22-20(21(25)26)13(4)6-2/h8-10,13,20H,5-7,11H2,1-4H3,(H,22,23)(H,25,26)/t13-,20+/m1/s1