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

Systemtic Name: (2S,3R)-3-methyl-2-[2-(6-oxidanylidenebenzo[c]chromen-3-yl)oxyethanoylamino]pentanoate Openeye Name: (2S,3R)-3-methyl-2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]pentanoate CAS Name: (2S,3R)-3-methyl-2-[[1-oxo-2-[(6-oxo-3-benzo[c][1]benzopyranyl)oxy]ethyl]amino]pentanoate IUPAC Name: (2S,3R)-3-methyl-2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]pentanoate Traditional Name: (2S,3R)-2-[[2-(6-ketobenzo[c]chromen-3-yl)oxyacetyl]amino]-3-methyl-valerate Formula: C21H20NO6- MolecularWeight: 382.3866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)COC1=CC2=C(C=C1)C3=CC=CC=C3C(=O)O2

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)[O-])NC(=O)COC1=CC2=C(C=C1)C3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C21H21NO6/c1-3-12(2)19(20(24)25)22-18(23)11-27-13-8-9-15-14-6-4-5-7-16(14)21(26)28-17(15)10-13/h4-10,12,19H,3,11H2,1-2H3,(H,22,23)(H,24,25)/p-1/t12-,19+/m1/s1