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

Systemtic Name: (2S,3R)-2-[2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-methyl-pentanoic acid Openeye Name: (2S,3R)-2-[[2-(4-butyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-3-methyl-pentanoic acid CAS Name: (2S,3R)-2-[[2-[(4-butyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3R)-2-[[2-(4-butyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylpentanoic acid Traditional Name: (2S,3R)-2-[[2-(4-butyl-2-keto-chromen-7-yl)oxyacetyl]amino]-3-methyl-valeric acid Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(C(C)CC)C(=O)O

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N[C@@H]([C@H](C)CC)C(=O)O

InChI

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