pyridin-4-ylmethyl 3-methyl-2-[[(2S,3R,4R,5R)-5-[[3-methyl-1-oxidanylidene-1-(pyridin-4-ylmethoxy)butan-2-yl]amino]-3,4-bis(oxidanyl)-1,6-diphenyl-hexan-2-yl]amino]butanoate

Systemtic Name: pyridin-4-ylmethyl 3-methyl-2-[[(2S,3R,4R,5R)-5-[[3-methyl-1-oxidanylidene-1-(pyridin-4-ylmethoxy)butan-2-yl]amino]-3,4-bis(oxidanyl)-1,6-diphenyl-hexan-2-yl]amino]butanoate Openeye Name: 4-pyridylmethyl 2-[[(1S,2R,3R,4R)-1-benzyl-2,3-dihydroxy-4-[[2-methyl-1-(4-pyridylmethoxycarbonyl)propyl]amino]-5-phenyl-pentyl]amino]-3-methyl-butanoate CAS Name: 2-[[(2S,3R,4R,5R)-3,4-dihydroxy-5-[[3-methyl-1-oxo-1-(pyridin-4-ylmethoxy)butan-2-yl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methylbutanoic acid pyridin-4-ylmethyl ester IUPAC Name: pyridin-4-ylmethyl 2-[[(2S,3R,4R,5R)-3,4-dihydroxy-5-[[3-methyl-1-oxo-1-(pyridin-4-ylmethoxy)butan-2-yl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methylbutanoate Traditional Name: 2-[[(1S,2R,3R,4R)-1-benzyl-2,3-dihydroxy-4-[[2-methyl-1-(4-pyridylmethoxycarbonyl)propyl]amino]-5-phenyl-pentyl]amino]-3-methyl-butyric acid 4-pyridylmethyl ester Formula: C40H50N4O6 MolecularWeight: 682.8482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=NC=C1)NC(CC2=CC=CC=C2)C(C(C(CC3=CC=CC=C3)NC(C(C)C)C(=O)OCC4=CC=NC=C4)O)O

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=NC=C1)N[C@H](CC2=CC=CC=C2)[C@H]([C@@H]([C@H](CC3=CC=CC=C3)NC(C(C)C)C(=O)OCC4=CC=NC=C4)O)O

InChI

InChI=1S/C40H50N4O6/c1-27(2)35(39(47)49-25-31-15-19-41-20-16-31)43-33(23-29-11-7-5-8-12-29)37(45)38(46)34(24-30-13-9-6-10-14-30)44-36(28(3)4)40(48)50-26-32-17-21-42-22-18-32/h5-22,27-28,33-38,43-46H,23-26H2,1-4H3/t33-,34+,35?,36?,37-,38-/m1/s1