(2S,3S)-3-methyl-2-[2-(3,4,8-trimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-[2-(3,4,8-trimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[[2-(3,4,8-trimethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[1-oxo-2-[(3,4,8-trimethyl-2-oxo-1-benzopyran-7-yl)oxy]ethyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[[2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetyl]amino]pentanoate Traditional Name: (2S,3S)-2-[[2-(2-keto-3,4,8-trimethyl-chromen-7-yl)oxyacetyl]amino]-3-methyl-valerate Formula: C20H24NO6- MolecularWeight: 374.40766

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)COC1=C(C2=C(C=C1)C(=C(C(=O)O2)C)C)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)COC1=C(C2=C(C=C1)C(=C(C(=O)O2)C)C)C

InChI

InChI=1S/C20H25NO6/c1-6-10(2)17(19(23)24)21-16(22)9-26-15-8-7-14-11(3)12(4)20(25)27-18(14)13(15)5/h7-8,10,17H,6,9H2,1-5H3,(H,21,22)(H,23,24)/p-1/t10-,17-/m0/s1