(phenylmethyl) (2S)-3-(5-methoxypyridin-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: (phenylmethyl) (2S)-3-(5-methoxypyridin-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: benzyl (2S)-2-(tert-butoxycarbonylamino)-3-(5-methoxy-2-pyridyl)propanoate CAS Name: (2S)-3-(5-methoxy-2-pyridinyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-(5-methoxypyridin-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(5-methoxy-2-pyridyl)propionic acid benzyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=NC=C(C=C1)OC)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=NC=C(C=C1)OC)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O5/c1-21(2,3)28-20(25)23-18(12-16-10-11-17(26-4)13-22-16)19(24)27-14-15-8-6-5-7-9-15/h5-11,13,18H,12,14H2,1-4H3,(H,23,25)/t18-/m0/s1