5-[[3-[4-[(2R,4S,5S,6R)-4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[3-[4-[(2R,4S,5S,6R)-4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[3-[4-[(2R,4R,5S,6S)-4-[[(2S)-2-tert-butoxycarbonylpyrrolidin-1-yl]methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-5-oxo-pentanoic acid CAS Name: 5-[[3-[4-[(2R,4S,5S,6R)-4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[(2S)-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-pyrrolidinyl]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-5-oxopentanoic acid IUPAC Name: 5-[[3-[4-[(2R,4S,5S,6R)-4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-5-oxopentanoic acid Traditional Name: 5-[[3-[4-[(2R,4R,5S,6S)-4-[[(2S)-2-tert-butoxycarbonylpyrrolidino]methyl]-5-methyl-6-(4-methylolphenyl)-1,3-dioxan-2-yl]phenyl]benzyl]amino]-5-keto-valeric acid Formula: C40H50N2O8 MolecularWeight: 686.8336

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC(=CC=C4)CNC(=O)CCCC(=O)O)CN5CCCC5C(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC(=CC=C4)CNC(=O)CCCC(=O)O)CN5CCC[C@H]5C(=O)OC(C)(C)C

InChI

InChI=1S/C40H50N2O8/c1-26-34(24-42-21-7-10-33(42)38(47)50-40(2,3)4)48-39(49-37(26)30-15-13-27(25-43)14-16-30)31-19-17-29(18-20-31)32-9-5-8-28(22-32)23-41-35(44)11-6-12-36(45)46/h5,8-9,13-20,22,26,33-34,37,39,43H,6-7,10-12,21,23-25H2,1-4H3,(H,41,44)(H,45,46)/t26-,33+,34+,37+,39+/m1/s1