(2S,3R)-2-[2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-methyl-pentanoic acid

Systemtic Name: (2S,3R)-2-[2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-methyl-pentanoic acid Openeye Name: (2S,3R)-2-[[2-(4-butyl-8-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-3-methyl-pentanoic acid CAS Name: (2S,3R)-2-[[2-[(4-butyl-8-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3R)-2-[[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylpentanoic acid Traditional Name: (2S,3R)-2-[[2-(4-butyl-2-keto-8-methyl-chromen-7-yl)oxyacetyl]amino]-3-methyl-valeric acid Formula: C22H29NO6 MolecularWeight: 403.46876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)NC(C(C)CC)C(=O)O

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N[C@@H]([C@H](C)CC)C(=O)O

InChI

InChI=1S/C22H29NO6/c1-5-7-8-15-11-19(25)29-21-14(4)17(10-9-16(15)21)28-12-18(24)23-20(22(26)27)13(3)6-2/h9-11,13,20H,5-8,12H2,1-4H3,(H,23,24)(H,26,27)/t13-,20+/m1/s1