tert-butyl (2S)-1-[[(2R,4R,5S,6S)-6-[4-(hydroxymethyl)phenyl]-5-methyl-2-[4-[3-[[[(2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoyl]amino]methyl]phenyl]phenyl]-1,3-dioxan-4-yl]methyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S)-1-[[(2R,4R,5S,6S)-6-[4-(hydroxymethyl)phenyl]-5-methyl-2-[4-[3-[[[(2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoyl]amino]methyl]phenyl]phenyl]-1,3-dioxan-4-yl]methyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S)-1-[[(2R,4R,5S,6S)-6-[4-(hydroxymethyl)phenyl]-5-methyl-2-[4-[3-[[[(2R)-3-phenyl-2-(p-tolylsulfonylamino)propanoyl]amino]methyl]phenyl]phenyl]-1,3-dioxan-4-yl]methyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[(2R,4R,5S,6S)-6-[4-(hydroxymethyl)phenyl]-5-methyl-2-[4-[3-[[[(2R)-2-[(4-methylphenyl)sulfonylamino]-1-oxo-3-phenylpropyl]amino]methyl]phenyl]phenyl]-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]-5-methyl-2-[4-[3-[[[(2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]amino]methyl]phenyl]phenyl]-1,3-dioxan-4-yl]methyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[[(2R,4R,5S,6S)-5-methyl-6-(4-methylolphenyl)-2-[4-[3-[[[(2R)-3-phenyl-2-(tosylamino)propanoyl]amino]methyl]phenyl]phenyl]-1,3-dioxan-4-yl]methyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C51H59N3O8S MolecularWeight: 874.09446

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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)C(CC5=CC=CC=C5)NS(=O)(=O)C6=CC=C(C=C6)C)CN7CCCC7C(=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)[C@@H](CC5=CC=CC=C5)NS(=O)(=O)C6=CC=C(C=C6)C)CN7CCC[C@H]7C(=O)OC(C)(C)C

InChI

InChI=1S/C51H59N3O8S/c1-34-16-26-43(27-17-34)63(58,59)53-44(30-36-11-7-6-8-12-36)48(56)52-31-38-13-9-14-42(29-38)39-22-24-41(25-23-39)50-60-46(32-54-28-10-15-45(54)49(57)62-51(3,4)5)35(2)47(61-50)40-20-18-37(33-55)19-21-40/h6-9,11-14,16-27,29,35,44-47,50,53,55H,10,15,28,30-33H2,1-5H3,(H,52,56)/t35-,44-,45+,46+,47+,50+/m1/s1