6-[[[4-[3,5-bis(fluoranyl)phenyl]-3-[[3-(dipropylcarbamoyl)phenyl]carbonylamino]-2-oxidanyl-butyl]-ethyl-carbamoyl]amino]hexanoic acid

Systemtic Name: 6-[[[4-[3,5-bis(fluoranyl)phenyl]-3-[[3-(dipropylcarbamoyl)phenyl]carbonylamino]-2-oxidanyl-butyl]-ethyl-carbamoyl]amino]hexanoic acid Openeye Name: 6-[[[4-(3,5-difluorophenyl)-3-[[3-(dipropylcarbamoyl)benzoyl]amino]-2-hydroxy-butyl]-ethyl-carbamoyl]amino]hexanoic acid CAS Name: 6-[[[[4-(3,5-difluorophenyl)-3-[[[3-[(dipropylamino)-oxomethyl]phenyl]-oxomethyl]amino]-2-hydroxybutyl]-ethylamino]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[[[4-(3,5-difluorophenyl)-3-[[3-(dipropylcarbamoyl)benzoyl]amino]-2-hydroxybutyl]-ethylcarbamoyl]amino]hexanoic acid Traditional Name: 6-[[[4-(3,5-difluorophenyl)-3-[[3-(dipropylcarbamoyl)benzoyl]amino]-2-hydroxy-butyl]-ethyl-carbamoyl]amino]hexanoic acid Formula: C33H46F2N4O6 MolecularWeight: 632.738346

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(CN(CC)C(=O)NCCCCCC(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C33H46F2N4O6/c1-4-15-39(16-5-2)32(44)25-12-10-11-24(20-25)31(43)37-28(19-23-17-26(34)21-27(35)18-23)29(40)22-38(6-3)33(45)36-14-9-7-8-13-30(41)42/h10-12,17-18,20-21,28-29,40H,4-9,13-16,19,22H2,1-3H3,(H,36,45)(H,37,43)(H,41,42)