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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C(C(=O)OCC1=CN=CC=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=CN=CC=C4)O)O

InChI

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