(4-oxidanylidene-6-propyl-3-pyridin-2-yl-chromen-7-yl) (2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Systemtic Name: (4-oxidanylidene-6-propyl-3-pyridin-2-yl-chromen-7-yl) (2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Openeye Name: [4-oxo-6-propyl-3-(2-pyridyl)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 [4-oxo-6-propyl-3-(2-pyridinyl)-1-benzopyran-7-yl] ester IUPAC Name: (4-oxo-6-propyl-3-pyridin-2-ylchromen-7-yl) (2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Traditional Name: (2S,3R)-2-(tert-butoxycarbonylamino)-3-methyl-valeric acid [4-keto-6-propyl-3-(2-pyridyl)chromen-7-yl] ester Formula: C28H34N2O6 MolecularWeight: 494.57936

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=CC=N3)OC(=O)C(C(C)CC)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=CC=N3)OC(=O)[C@H]([C@H](C)CC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C28H34N2O6/c1-7-11-18-14-19-23(34-16-20(25(19)31)21-12-9-10-13-29-21)15-22(18)35-26(32)24(17(3)8-2)30-27(33)36-28(4,5)6/h9-10,12-17,24H,7-8,11H2,1-6H3,(H,30,33)/t17-,24+/m1/s1