4-[[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]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[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]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[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]-4-oxo-butanoic acid CAS Name: 4-[[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]-4-oxobutanoic acid IUPAC Name: 4-[[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]-4-oxobutanoic acid Traditional Name: 4-[[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]-4-keto-butyric acid Formula: C39H48N2O8 MolecularWeight: 672.80702

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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)CCC(=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)CCC(=O)O)CN5CCC[C@H]5C(=O)OC(C)(C)C

InChI

InChI=1S/C39H48N2O8/c1-25-33(23-41-20-6-9-32(41)37(46)49-39(2,3)4)47-38(48-36(25)29-12-10-26(24-42)11-13-29)30-16-14-28(15-17-30)31-8-5-7-27(21-31)22-40-34(43)18-19-35(44)45/h5,7-8,10-17,21,25,32-33,36,38,42H,6,9,18-20,22-24H2,1-4H3,(H,40,43)(H,44,45)/t25-,32+,33+,36+,38+/m1/s1