(2S,3R)-3-methyl-2-[2-(4-methyl-6-oxidanylidene-benzo[c]chromen-3-yl)oxyethanoylamino]pentanoate

Systemtic Name: (2S,3R)-3-methyl-2-[2-(4-methyl-6-oxidanylidene-benzo[c]chromen-3-yl)oxyethanoylamino]pentanoate Openeye Name: (2S,3R)-3-methyl-2-[[2-(4-methyl-6-oxo-benzo[c]chromen-3-yl)oxyacetyl]amino]pentanoate CAS Name: (2S,3R)-3-methyl-2-[[2-[(4-methyl-6-oxo-3-benzo[c][1]benzopyranyl)oxy]-1-oxoethyl]amino]pentanoate IUPAC Name: (2S,3R)-3-methyl-2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]pentanoate Traditional Name: (2S,3R)-2-[[2-(6-keto-4-methyl-benzo[c]chromen-3-yl)oxyacetyl]amino]-3-methyl-valerate Formula: C22H22NO6- MolecularWeight: 396.41318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)COC1=C(C2=C(C=C1)C3=CC=CC=C3C(=O)O2)C

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)[O-])NC(=O)COC1=C(C2=C(C=C1)C3=CC=CC=C3C(=O)O2)C

InChI

InChI=1S/C22H23NO6/c1-4-12(2)19(21(25)26)23-18(24)11-28-17-10-9-15-14-7-5-6-8-16(14)22(27)29-20(15)13(17)3/h5-10,12,19H,4,11H2,1-3H3,(H,23,24)(H,25,26)/p-1/t12-,19+/m1/s1