tert-butyl (2S)-1-[[(2R,4R,5S,6S)-6-[4-(hydroxymethyl)phenyl]-2-[4-[3-[[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoylamino]methyl]phenyl]phenyl]-5-methyl-1,3-dioxan-4-yl]methyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S)-1-[[(2R,4R,5S,6S)-6-[4-(hydroxymethyl)phenyl]-2-[4-[3-[[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoylamino]methyl]phenyl]phenyl]-5-methyl-1,3-dioxan-4-yl]methyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S)-1-[[(2R,4R,5S,6S)-2-[4-[3-[[[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]carbamoylamino]methyl]phenyl]phenyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-4-yl]methyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[(2R,4R,5S,6S)-6-[4-(hydroxymethyl)phenyl]-2-[4-[3-[[[[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]amino]methyl]phenyl]phenyl]-5-methyl-1,3-dioxan-4-yl]methyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-1-[[(2R,4R,5S,6S)-6-[4-(hydroxymethyl)phenyl]-2-[4-[3-[[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoylamino]methyl]phenyl]phenyl]-5-methyl-1,3-dioxan-4-yl]methyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[[(2R,4R,5S,6S)-2-[4-[3-[[[(1S)-1-benzyl-2-keto-2-methoxy-ethyl]carbamoylamino]methyl]phenyl]phenyl]-5-methyl-6-(4-methylolphenyl)-1,3-dioxan-4-yl]methyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C46H55N3O8 MolecularWeight: 777.9442

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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)NC(CC5=CC=CC=C5)C(=O)OC)CN6CCCC6C(=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)N[C@@H](CC5=CC=CC=C5)C(=O)OC)CN6CCC[C@H]6C(=O)OC(C)(C)C

InChI

InChI=1S/C46H55N3O8/c1-30-40(28-49-24-10-15-39(49)43(52)57-46(2,3)4)55-44(56-41(30)35-18-16-32(29-50)17-19-35)36-22-20-34(21-23-36)37-14-9-13-33(25-37)27-47-45(53)48-38(42(51)54-5)26-31-11-7-6-8-12-31/h6-9,11-14,16-23,25,30,38-41,44,50H,10,15,24,26-29H2,1-5H3,(H2,47,48,53)/t30-,38+,39+,40+,41+,44+/m1/s1