(4,7-dimethyl-2-oxidanylidene-chromen-5-yl) (2S,3R)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: (4,7-dimethyl-2-oxidanylidene-chromen-5-yl) (2S,3R)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: (4,7-dimethyl-2-oxo-chromen-5-yl) (2S,3R)-2-(benzyloxycarbonylamino)-3-methyl-pentanoate CAS Name: (2S,3R)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid (4,7-dimethyl-2-oxo-1-benzopyran-5-yl) ester IUPAC Name: (4,7-dimethyl-2-oxochromen-5-yl) (2S,3R)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2S,3R)-2-(benzyloxycarbonylamino)-3-methyl-valeric acid (2-keto-4,7-dimethyl-chromen-5-yl) ester Formula: C25H27NO6 MolecularWeight: 437.48498

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=CC(=CC2=C1C(=CC(=O)O2)C)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)OC1=CC(=CC2=C1C(=CC(=O)O2)C)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H27NO6/c1-5-16(3)23(26-25(29)30-14-18-9-7-6-8-10-18)24(28)32-20-12-15(2)11-19-22(20)17(4)13-21(27)31-19/h6-13,16,23H,5,14H2,1-4H3,(H,26,29)/t16-,23+/m1/s1