(2S,3S)-3-methyl-2-[2-(2-oxidanylidene-4-propyl-chromen-7-yl)oxyethanoylamino]pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-[2-(2-oxidanylidene-4-propyl-chromen-7-yl)oxyethanoylamino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[[2-(2-oxo-4-propyl-chromen-7-yl)oxyacetyl]amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[1-oxo-2-[(2-oxo-4-propyl-1-benzopyran-7-yl)oxy]ethyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]pentanoate Traditional Name: (2S,3S)-2-[[2-(2-keto-4-propyl-chromen-7-yl)oxyacetyl]amino]-3-methyl-valerate Formula: C20H24NO6- MolecularWeight: 374.40766

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(C(C)CC)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO6/c1-4-6-13-9-18(23)27-16-10-14(7-8-15(13)16)26-11-17(22)21-19(20(24)25)12(3)5-2/h7-10,12,19H,4-6,11H2,1-3H3,(H,21,22)(H,24,25)/p-1/t12-,19-/m0/s1