N1-[(2S,3S,4S)-1-[3,5-bis(fluoranyl)phenyl]-5-[ethyl(2-hydroxyethyl)amino]-3,4-bis(oxidanyl)pentan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide

Systemtic Name: N1-[(2S,3S,4S)-1-[3,5-bis(fluoranyl)phenyl]-5-[ethyl(2-hydroxyethyl)amino]-3,4-bis(oxidanyl)pentan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[(1S,2S,3S)-1-[(3,5-difluorophenyl)methyl]-4-[ethyl(2-hydroxyethyl)amino]-2,3-dihydroxy-butyl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[(2S,3S,4S)-1-(3,5-difluorophenyl)-5-[ethyl(2-hydroxyethyl)amino]-3,4-dihydroxypentan-2-yl]-5-methyl-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[(2S,3S,4S)-1-(3,5-difluorophenyl)-5-[ethyl(2-hydroxyethyl)amino]-3,4-dihydroxypentan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[(1S,2S,3S)-1-(3,5-difluorobenzyl)-4-[ethyl(2-hydroxyethyl)amino]-2,3-dihydroxy-butyl]-5-methyl-N',N'-dipropyl-isophthalamide Formula: C30H43F2N3O5 MolecularWeight: 563.676326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC(=CC(=C2)F)F)C(C(CN(CC)CCO)O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C30H43F2N3O5/c1-5-8-35(9-6-2)30(40)23-13-20(4)12-22(17-23)29(39)33-26(16-21-14-24(31)18-25(32)15-21)28(38)27(37)19-34(7-3)10-11-36/h12-15,17-18,26-28,36-38H,5-11,16,19H2,1-4H3,(H,33,39)/t26-,27-,28-/m0/s1