(2R)-N-[[4-[(2R,4S,5S,6R)-4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]methyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanamide

Systemtic Name: (2R)-N-[[4-[(2R,4S,5S,6R)-4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]methyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanamide Openeye Name: (2R)-N-[[4-[(2R,4R,5S,6S)-4-[(4-benzylpiperazin-1-yl)methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]methyl]-3-phenyl-2-(p-tolylsulfonylamino)propanamide CAS Name: (2R)-N-[[4-[(2R,4S,5S,6R)-4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1,3-dioxan-2-yl]phenyl]methyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide IUPAC Name: (2R)-N-[[4-[(2R,4R,5S,6S)-4-[(4-benzylpiperazin-1-yl)methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]methyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide Traditional Name: (2R)-N-[4-[(2R,4R,5S,6S)-4-[(4-benzylpiperazino)methyl]-5-methyl-6-(4-methylolphenyl)-1,3-dioxan-2-yl]benzyl]-3-phenyl-2-(tosylamino)propionamide Formula: C47H54N4O6S MolecularWeight: 803.01986

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNC(=O)C(CC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C)CN6CCN(CC6)CC7=CC=CC=C7

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)CNC(=O)[C@@H](CC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C)CN6CCN(CC6)CC7=CC=CC=C7

InChI

InChI=1S/C47H54N4O6S/c1-34-13-23-42(24-14-34)58(54,55)49-43(29-36-9-5-3-6-10-36)46(53)48-30-37-15-21-41(22-16-37)47-56-44(35(2)45(57-47)40-19-17-39(33-52)18-20-40)32-51-27-25-50(26-28-51)31-38-11-7-4-8-12-38/h3-24,35,43-45,47,49,52H,25-33H2,1-2H3,(H,48,53)/t35-,43-,44+,45+,47+/m1/s1