N-[4-[cyclohexylmethyl-(3,3-dimethylbutanoylamino)amino]-1-phenyl-butyl]-2-oxidanyl-2-(quinolin-2-ylcarbonylamino)butanediamide

Systemtic Name: N-[4-[cyclohexylmethyl-(3,3-dimethylbutanoylamino)amino]-1-phenyl-butyl]-2-oxidanyl-2-(quinolin-2-ylcarbonylamino)butanediamide Openeye Name: N-[4-[cyclohexylmethyl-(3,3-dimethylbutanoylamino)amino]-1-phenyl-butyl]-2-hydroxy-2-(quinoline-2-carbonylamino)butanediamide CAS Name: N-[4-[cyclohexylmethyl-[(3,3-dimethyl-1-oxobutyl)amino]amino]-1-phenylbutyl]-2-hydroxy-2-[[oxo(2-quinolinyl)methyl]amino]butanediamide IUPAC Name: N-[4-[cyclohexylmethyl-(3,3-dimethylbutanoylamino)amino]-1-phenylbutyl]-2-hydroxy-2-(quinoline-2-carbonylamino)butanediamide Traditional Name: N-[4-[cyclohexylmethyl-(3,3-dimethylbutanoylamino)amino]-1-phenyl-butyl]-2-hydroxy-2-(quinaldoylamino)succinamide Formula: C37H50N6O5 MolecularWeight: 658.8301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NN(CCCC(C1=CC=CC=C1)NC(=O)C(CC(=O)N)(NC(=O)C2=NC3=CC=CC=C3C=C2)O)CC4CCCCC4

Isomeric SMILES

CC(C)(C)CC(=O)NN(CCCC(C1=CC=CC=C1)NC(=O)C(CC(=O)N)(NC(=O)C2=NC3=CC=CC=C3C=C2)O)CC4CCCCC4

InChI

InChI=1S/C37H50N6O5/c1-36(2,3)24-33(45)42-43(25-26-13-6-4-7-14-26)22-12-19-30(27-15-8-5-9-16-27)40-35(47)37(48,23-32(38)44)41-34(46)31-21-20-28-17-10-11-18-29(28)39-31/h5,8-11,15-18,20-21,26,30,48H,4,6-7,12-14,19,22-25H2,1-3H3,(H2,38,44)(H,40,47)(H,41,46)(H,42,45)