(3,4-dimethyl-2-oxidanylidene-chromen-7-yl) (2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Systemtic Name: (3,4-dimethyl-2-oxidanylidene-chromen-7-yl) (2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Openeye Name: (3,4-dimethyl-2-oxo-chromen-7-yl) (2S,3R)-2-(tert-butoxycarbonylamino)-3-methyl-pentanoate CAS Name: (2S,3R)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid (3,4-dimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3,4-dimethyl-2-oxochromen-7-yl) (2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Traditional Name: (2S,3R)-2-(tert-butoxycarbonylamino)-3-methyl-valeric acid (2-keto-3,4-dimethyl-chromen-7-yl) ester Formula: C22H29NO6 MolecularWeight: 403.46876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=CC2=C(C=C1)C(=C(C(=O)O2)C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)OC1=CC2=C(C=C1)C(=C(C(=O)O2)C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H29NO6/c1-8-12(2)18(23-21(26)29-22(5,6)7)20(25)27-15-9-10-16-13(3)14(4)19(24)28-17(16)11-15/h9-12,18H,8H2,1-7H3,(H,23,26)/t12-,18+/m1/s1