(3S)-3-[[[(2R)-2-azanyl-3-[3,4-bis(fluoranyl)phenyl]propanoyl]amino]methyl]-5-methyl-hexanoic acid

Systemtic Name: (3S)-3-[[[(2R)-2-azanyl-3-[3,4-bis(fluoranyl)phenyl]propanoyl]amino]methyl]-5-methyl-hexanoic acid Openeye Name: (3S)-3-[[[(2R)-2-amino-3-(3,4-difluorophenyl)propanoyl]amino]methyl]-5-methyl-hexanoic acid CAS Name: (3S)-3-[[[(2R)-2-amino-3-(3,4-difluorophenyl)-1-oxopropyl]amino]methyl]-5-methylhexanoic acid IUPAC Name: (3S)-3-[[[(2R)-2-amino-3-(3,4-difluorophenyl)propanoyl]amino]methyl]-5-methylhexanoic acid Traditional Name: (3S)-3-[[[(2R)-2-amino-3-(3,4-difluorophenyl)propanoyl]amino]methyl]-5-methyl-hexanoic acid Formula: C17H24F2N2O3 MolecularWeight: 342.380866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)O)CNC(=O)C(CC1=CC(=C(C=C1)F)F)N

Isomeric SMILES

CC(C)C[C@@H](CC(=O)O)CNC(=O)[C@@H](CC1=CC(=C(C=C1)F)F)N

InChI

InChI=1S/C17H24F2N2O3/c1-10(2)5-12(8-16(22)23)9-21-17(24)15(20)7-11-3-4-13(18)14(19)6-11/h3-4,6,10,12,15H,5,7-9,20H2,1-2H3,(H,21,24)(H,22,23)/t12-,15+/m0/s1