N-[4-[(4-fluorophenyl)methyl-morpholin-4-ylcarbonyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide

Systemtic Name: N-[4-[(4-fluorophenyl)methyl-morpholin-4-ylcarbonyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide Openeye Name: N-[1-benzyl-3-[(4-fluorophenyl)methyl-(morpholine-4-carbonyl)amino]-2-hydroxy-propyl]-2-(quinoline-2-carbonylamino)butanediamide CAS Name: N-[4-[(4-fluorophenyl)methyl-[4-morpholinyl(oxo)methyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-[[oxo(2-quinolinyl)methyl]amino]butanediamide IUPAC Name: N-[4-[(4-fluorophenyl)methyl-(morpholine-4-carbonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide Traditional Name: N-[1-benzyl-3-[(4-fluorobenzyl)-(morpholine-4-carbonyl)amino]-2-hydroxy-propyl]-2-(quinaldoylamino)succinamide Formula: C36H39FN6O6 MolecularWeight: 670.729863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)N(CC2=CC=C(C=C2)F)CC(C(CC3=CC=CC=C3)NC(=O)C(CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O

Isomeric SMILES

C1COCCN1C(=O)N(CC2=CC=C(C=C2)F)CC(C(CC3=CC=CC=C3)NC(=O)C(CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O

InChI

InChI=1S/C36H39FN6O6/c37-27-13-10-25(11-14-27)22-43(36(48)42-16-18-49-19-17-42)23-32(44)30(20-24-6-2-1-3-7-24)40-35(47)31(21-33(38)45)41-34(46)29-15-12-26-8-4-5-9-28(26)39-29/h1-15,30-32,44H,16-23H2,(H2,38,45)(H,40,47)(H,41,46)