(2S)-2-[[(1S)-1-phenylethyl]amino]-3-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propanenitrile

Systemtic Name: (2S)-2-[[(1S)-1-phenylethyl]amino]-3-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propanenitrile Openeye Name: (2S)-2-[[(1S)-1-phenylethyl]amino]-3-[(2R,3R,4R,5R,6R)-3,4,5-tribenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]propanenitrile CAS Name: (2S)-2-[[(1S)-1-phenylethyl]amino]-3-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]propanenitrile IUPAC Name: (2S)-2-[[(1S)-1-phenylethyl]amino]-3-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propanenitrile Traditional Name: (2S)-2-[[(1S)-1-phenylethyl]amino]-3-[(2R,3R,4R,5R,6R)-3,4,5-tribenzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]propionitrile Formula: C45H48N2O5 MolecularWeight: 696.87302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(CC2C(C(C(C(O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)C#N

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N[C@@H](C[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)C#N

InChI

InChI=1S/C45H48N2O5/c1-34(39-25-15-6-16-26-39)47-40(28-46)27-41-43(49-30-36-19-9-3-10-20-36)45(51-32-38-23-13-5-14-24-38)44(50-31-37-21-11-4-12-22-37)42(52-41)33-48-29-35-17-7-2-8-18-35/h2-26,34,40-45,47H,27,29-33H2,1H3/t34-,40-,41+,42+,43+,44+,45+/m0/s1