N3-[(2S,3R,4R,5R)-1-[3,5-bis(fluoranyl)phenyl]-6-methyl-3,4-bis(oxidanyl)-5-[(phenylmethyl)carbamoyl]heptan-2-yl]-4-methyl-N1,N1-dipropyl-benzene-1,3-dicarboxamide

Systemtic Name: N3-[(2S,3R,4R,5R)-1-[3,5-bis(fluoranyl)phenyl]-6-methyl-3,4-bis(oxidanyl)-5-[(phenylmethyl)carbamoyl]heptan-2-yl]-4-methyl-N1,N1-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N3-[(1S,2R,3R,4R)-4-(benzylcarbamoyl)-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroxy-5-methyl-hexyl]-4-methyl-N1,N1-dipropyl-benzene-1,3-dicarboxamide CAS Name: N3-[(2S,3R,4R,5R)-1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methyl-5-[oxo-[(phenylmethyl)amino]methyl]heptan-2-yl]-4-methyl-N1,N1-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 3-N-[(2S,3R,4R,5R)-5-(benzylcarbamoyl)-1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methylheptan-2-yl]-4-methyl-1-N,1-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N'-[(1S,2R,3R,4R)-4-(benzylcarbamoyl)-1-(3,5-difluorobenzyl)-2,3-dihydroxy-5-methyl-hexyl]-4-methyl-N,N-dipropyl-isophthalamide Formula: C37H47F2N3O5 MolecularWeight: 651.782986

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=C(C=C1)C)C(=O)NC(CC2=CC(=CC(=C2)F)F)C(C(C(C(C)C)C(=O)NCC3=CC=CC=C3)O)O

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=C(C=C1)C)C(=O)N[C@@H](CC2=CC(=CC(=C2)F)F)[C@H]([C@@H]([C@@H](C(C)C)C(=O)NCC3=CC=CC=C3)O)O

InChI

InChI=1S/C37H47F2N3O5/c1-6-15-42(16-7-2)37(47)27-14-13-24(5)30(20-27)35(45)41-31(19-26-17-28(38)21-29(39)18-26)33(43)34(44)32(23(3)4)36(46)40-22-25-11-9-8-10-12-25/h8-14,17-18,20-21,23,31-34,43-44H,6-7,15-16,19,22H2,1-5H3,(H,40,46)(H,41,45)/t31-,32+,33+,34+/m0/s1